Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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1,486 – 1,500 of 270,148 results

1,486

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Adenine, Synthetic, Spectrum™ Chemical

CAS: 73-24-5

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CAS	73-24-5

1,487

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Theophylline, Anhydrous, USP, 97-102%, Spectrum™ Chemical

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.17 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N IUPAC Name: 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C2=C(NC=N2)C(=O)N(C)C1=O

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CAS	58-55-9
Molecular Weight (g/mol)	180.17
SMILES	CN1C2=C(NC=N2)C(=O)N(C)C1=O
IUPAC Name	1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key	ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Formula	C7H8N4O2

1,488

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6-Mercaptopurine monohydrate, 98%

CAS: 6112-76-1 Molecular Formula: C5H6N4OS Molecular Weight (g/mol): 170.19 MDL Number: MFCD03854445,MFCD01461928 InChI Key: WFFQYWAAEWLHJC-UHFFFAOYSA-N Synonym: 6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5 PubChem CID: 2724350 ChEBI: CHEBI:31822 IUPAC Name: 3,7-dihydropurine-6-thione;hydrate SMILES: O.S=C1N=CNC2=C1NC=N2

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PubChem CID	2724350
CAS	6112-76-1
Molecular Weight (g/mol)	170.19
ChEBI	CHEBI:31822
MDL Number	MFCD03854445,MFCD01461928
SMILES	O.S=C1N=CNC2=C1NC=N2
Synonym	6-mercaptopurine monohydrate,6-mercaptopurine hydrate,mercaptopurine monohydrate,mercaptopurine hydrate,6h-purine-6-thione, 1,7-dihydro-, monohydrate,6,7-dihydro-3h-purine-6-thione hydrate,purine-6-thiol monohydrate,1,7-dihydro-6h-purine-6-thione monohydrate,purine-6-thiol, monohydrate,unii-e7wed276i5
IUPAC Name	3,7-dihydropurine-6-thione;hydrate
InChI Key	WFFQYWAAEWLHJC-UHFFFAOYSA-N
Molecular Formula	C5H6N4OS

1,489

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Thermo Scientific Chemicals 2',3'-O-Isopropylideneadenosine, 98%

CAS: 362-75-4 Molecular Formula: C13H17N5O4 Molecular Weight (g/mol): 307.31 MDL Number: MFCD00005756 InChI Key: LCCLUOXEZAHUNS-AUWRGFAENA-N Synonym: 2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185 PubChem CID: 2723654 IUPAC Name: [(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol SMILES: CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12

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PubChem CID	2723654
CAS	362-75-4
Molecular Weight (g/mol)	307.31
MDL Number	MFCD00005756
SMILES	CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C(N)N=CN=C12
Synonym	2',3'-o-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyltetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,2',3'-isopropylideneadenosine,3ar,4r,6r,6ar-6-6-amino-9h-purin-9-yl-2,2-dimethyl-tetrahydro-2h-furo 3,4-d 1,3 dioxol-4-yl methanol,2 ,3-o-isopropylideneadenosine,1r,2r,4r,5r-4-6-aminopurin-9-yl-7,7-dimethyl-3,6,8-trioxabicyclo 3.3.0 oc t-2-yl methan-1-ol,3ar,4r,6r,6ar-4-6-aminopurin-9-yl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro 3,4-d 1,3 dioxol-6-yl methanol,3ar,4r,6r,6ar-6-6-aminopurin-9-yl-2,2-dimethyl-tetrahydrofuro 3,4-d 1,3 dioxol-4-yl methanol,pubchem14185
IUPAC Name	[(3aR,4R,6R,6aR)-4-(6-aminopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
InChI Key	LCCLUOXEZAHUNS-AUWRGFAENA-N
Molecular Formula	C13H17N5O4

1,490

Tetramisole hydrochloride, 99.6%, MP Biomedicals™

CAS: 83-67-0 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N Synonym: theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin PubChem CID: 5429 ChEBI: CHEBI:28946 IUPAC Name: 3,7-dimethylpurine-2,6-dione SMILES: CN1C=NC2=C1C(=O)NC(=O)N2C

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PubChem CID	5429
CAS	83-67-0
Molecular Weight (g/mol)	180.167
ChEBI	CHEBI:28946
SMILES	CN1C=NC2=C1C(=O)NC(=O)N2C
Synonym	theobromine,3,7-dimethylxanthine,diurobromine,teobromin,theosalvose,theostene,santheose,thesodate,thesal,theobromin
IUPAC Name	3,7-dimethylpurine-2,6-dione
InChI Key	YAPQBXQYLJRXSA-UHFFFAOYSA-N
Molecular Formula	C7H8N4O2

1,491

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1-(5-Chloro-2-pyridyl)piperazine, 99%

CAS: 87394-65-8 Molecular Formula: C9H12ClN3 Molecular Weight (g/mol): 197.666 MDL Number: MFCD04115049 InChI Key: ZTLOZFLZBKZABP-UHFFFAOYSA-N Synonym: 1-5-chloropyridin-2-yl piperazine,1-5-chloro-2-pyridyl piperazine,1-5-chloro-pyridin-2-yl-piperazine,5-chloro-2-piperazin-1-yl pyridine,1-5-chloro-2-pyridinyl piperazine,acmc-20ap9z,2-piperazino 5-chloro pyridine,5-chloro-2-pyridyl piperazine,5-chloro-2-1-piperazinyl pyridine,1-5-chloro-2-pyridinyl-piperazine PubChem CID: 3805301 IUPAC Name: 1-(5-chloropyridin-2-yl)piperazine SMILES: C1CN(CCN1)C2=NC=C(C=C2)Cl

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PubChem CID	3805301
CAS	87394-65-8
Molecular Weight (g/mol)	197.666
MDL Number	MFCD04115049
SMILES	C1CN(CCN1)C2=NC=C(C=C2)Cl
Synonym	1-5-chloropyridin-2-yl piperazine,1-5-chloro-2-pyridyl piperazine,1-5-chloro-pyridin-2-yl-piperazine,5-chloro-2-piperazin-1-yl pyridine,1-5-chloro-2-pyridinyl piperazine,acmc-20ap9z,2-piperazino 5-chloro pyridine,5-chloro-2-pyridyl piperazine,5-chloro-2-1-piperazinyl pyridine,1-5-chloro-2-pyridinyl-piperazine
IUPAC Name	1-(5-chloropyridin-2-yl)piperazine
InChI Key	ZTLOZFLZBKZABP-UHFFFAOYSA-N
Molecular Formula	C9H12ClN3

1,492

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1-(1-Methyl-4-piperidinyl)piperazine, 98%

CAS: 23995-88-2 Molecular Formula: C10H21N3 Molecular Weight (g/mol): 183.299 MDL Number: MFCD01075186 InChI Key: OHUMKYGINIODOY-UHFFFAOYSA-N Synonym: 1-1-methyl-4-piperidinyl piperazine,1-1-methylpiperidin-4-yl piperazine,1-n-methylpiperidin-4-yl piperazine,1-1-methyl-piperidin-4-yl-piperazine,piperazine, 1-1-methyl-4-piperidinyl,1-1-methyl-4-piperidyl piperazine,1-1-methyl-4-piperidino piperazine,zlchem 509,acmc-1cq7x,1-methyl-4-piperidyl piperazine PubChem CID: 566324 IUPAC Name: 1-(1-methylpiperidin-4-yl)piperazine SMILES: CN1CCC(CC1)N2CCNCC2

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PubChem CID	566324
CAS	23995-88-2
Molecular Weight (g/mol)	183.299
MDL Number	MFCD01075186
SMILES	CN1CCC(CC1)N2CCNCC2
Synonym	1-1-methyl-4-piperidinyl piperazine,1-1-methylpiperidin-4-yl piperazine,1-n-methylpiperidin-4-yl piperazine,1-1-methyl-piperidin-4-yl-piperazine,piperazine, 1-1-methyl-4-piperidinyl,1-1-methyl-4-piperidyl piperazine,1-1-methyl-4-piperidino piperazine,zlchem 509,acmc-1cq7x,1-methyl-4-piperidyl piperazine
IUPAC Name	1-(1-methylpiperidin-4-yl)piperazine
InChI Key	OHUMKYGINIODOY-UHFFFAOYSA-N
Molecular Formula	C10H21N3

1,493

2-[1-(tert-Butoxycarbonyl)piperid-4-yl]-1,3-thiazole-4-carboxylic acid, ≥95%, Thermo Scientific™

CAS: 668484-45-5 Molecular Formula: C13H19N3O4S Molecular Weight (g/mol): 313.372 MDL Number: MFCD06658980 InChI Key: FMSFMUBALWPCQM-UHFFFAOYSA-N Synonym: 2-4-tert-butoxycarbonyl piperazin-1-yl thiazole-4-carboxylic acid,2-4-tert-butoxycarbonyl piperazin-1-yl-1,3-thiazole-4-carboxylic acid PubChem CID: 59496772 IUPAC Name: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CS2)C(=O)O

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PubChem CID	59496772
CAS	668484-45-5
Molecular Weight (g/mol)	313.372
MDL Number	MFCD06658980
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=CS2)C(=O)O
Synonym	2-4-tert-butoxycarbonyl piperazin-1-yl thiazole-4-carboxylic acid,2-4-tert-butoxycarbonyl piperazin-1-yl-1,3-thiazole-4-carboxylic acid
IUPAC Name	2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
InChI Key	FMSFMUBALWPCQM-UHFFFAOYSA-N
Molecular Formula	C13H19N3O4S

1,494

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1-Boc-3-oxopiperazine, 98%

CAS: 76003-29-7 Molecular Formula: C9H16N2O3 Molecular Weight (g/mol): 200.238 MDL Number: MFCD02181069 InChI Key: FCMLWBBLOASUSO-UHFFFAOYSA-N Synonym: 1-boc-3-oxopiperazine,4-n-boc-2-oxo-piperazine,4-boc-piperazinone,n-boc-3-oxopiperazine,3-oxo-piperazine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxo-1-piperazinecarboxylate,4-n-boc-piperazin-2-one,n-boc-piperazin-3-one,1-piperazinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-3-oxopiperazine PubChem CID: 3157178 IUPAC Name: tert-butyl 3-oxopiperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCNC(=O)C1

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PubChem CID	3157178
CAS	76003-29-7
Molecular Weight (g/mol)	200.238
MDL Number	MFCD02181069
SMILES	CC(C)(C)OC(=O)N1CCNC(=O)C1
Synonym	1-boc-3-oxopiperazine,4-n-boc-2-oxo-piperazine,4-boc-piperazinone,n-boc-3-oxopiperazine,3-oxo-piperazine-1-carboxylic acid tert-butyl ester,tert-butyl 3-oxo-1-piperazinecarboxylate,4-n-boc-piperazin-2-one,n-boc-piperazin-3-one,1-piperazinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester,1-tert-butoxycarbonyl-3-oxopiperazine
IUPAC Name	tert-butyl 3-oxopiperazine-1-carboxylate
InChI Key	FCMLWBBLOASUSO-UHFFFAOYSA-N
Molecular Formula	C9H16N2O3

1,495

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4-Boc-1-(5-bromo-2-pyridyl)piperazine, 97%

CAS: 153747-97-8 Molecular Formula: C14H20BrN3O2 Molecular Weight (g/mol): 342.237 MDL Number: MFCD07369772 InChI Key: DSLVSFMWCDGZIL-UHFFFAOYSA-N Synonym: tert-butyl 4-5-bromopyridin-2-yl piperazine-1-carboxylate,2-4-boc-piperazino-5-bromopyridine,4-boc-1-5-bromo-2-pyridyl piperazine,5-bromo-2-4-n-boc piperazin-1-yl pyridine,4-5-bromo-pyridin-2-yl-piperazine-1-carboxylic acid tert-butyl ester,5-bromo-2-4-tert-butoxycarbonylpiperazin-1-yl pyridine,4-5-bromopyridin-2-yl piperazine-1-carboxylic acid tert-butyl ester,1-piperazinecarboxylic acid, 4-5-bromo-2-pyridinyl-, 1,1-dimethylethyl ester,acmc-1ah70,2-n-boc-piperazin-1-yl-5-bromopyridine PubChem CID: 11244775 IUPAC Name: tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)Br

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PubChem CID	11244775
CAS	153747-97-8
Molecular Weight (g/mol)	342.237
MDL Number	MFCD07369772
SMILES	CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)Br
Synonym	tert-butyl 4-5-bromopyridin-2-yl piperazine-1-carboxylate,2-4-boc-piperazino-5-bromopyridine,4-boc-1-5-bromo-2-pyridyl piperazine,5-bromo-2-4-n-boc piperazin-1-yl pyridine,4-5-bromo-pyridin-2-yl-piperazine-1-carboxylic acid tert-butyl ester,5-bromo-2-4-tert-butoxycarbonylpiperazin-1-yl pyridine,4-5-bromopyridin-2-yl piperazine-1-carboxylic acid tert-butyl ester,1-piperazinecarboxylic acid, 4-5-bromo-2-pyridinyl-, 1,1-dimethylethyl ester,acmc-1ah70,2-n-boc-piperazin-1-yl-5-bromopyridine
IUPAC Name	tert-butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
InChI Key	DSLVSFMWCDGZIL-UHFFFAOYSA-N
Molecular Formula	C14H20BrN3O2

1,496

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(R)-(+)-1-Boc-3-methylpiperazine, 97%

CAS: 163765-44-4 Molecular Formula: C10H20N2O2 Molecular Weight (g/mol): 200.282 MDL Number: MFCD02683205 InChI Key: FMLPQHJYUZTHQS-MRVPVSSYSA-N Synonym: r-1-boc-3-methylpiperazine,r-4-boc-2-methylpiperazine,r-4-n-boc-2-methylpiperazine,r-tert-butyl 3-methylpiperazine-1-carboxylate,tert-butyl 3r-3-methylpiperazine-1-carboxylate,r-4-n-boc-2-methyl-piperazine,r-1-boc-3-methyl-piperazine,r-4bocmp,r-n4-boc-2-methylpiperazine,3r-1-boc-3-methylpiperazine PubChem CID: 2756811 IUPAC Name: tert-butyl (3R)-3-methylpiperazine-1-carboxylate SMILES: CC1CN(CCN1)C(=O)OC(C)(C)C

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PubChem CID	2756811
CAS	163765-44-4
Molecular Weight (g/mol)	200.282
MDL Number	MFCD02683205
SMILES	CC1CN(CCN1)C(=O)OC(C)(C)C
Synonym	r-1-boc-3-methylpiperazine,r-4-boc-2-methylpiperazine,r-4-n-boc-2-methylpiperazine,r-tert-butyl 3-methylpiperazine-1-carboxylate,tert-butyl 3r-3-methylpiperazine-1-carboxylate,r-4-n-boc-2-methyl-piperazine,r-1-boc-3-methyl-piperazine,r-4bocmp,r-n4-boc-2-methylpiperazine,3r-1-boc-3-methylpiperazine
IUPAC Name	tert-butyl (3R)-3-methylpiperazine-1-carboxylate
InChI Key	FMLPQHJYUZTHQS-MRVPVSSYSA-N
Molecular Formula	C10H20N2O2

1,497

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4-(1-Piperazinyl)indole, 95%

CAS: 84807-09-0 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.273 MDL Number: MFCD00831776 InChI Key: YZKSXUIOKWQABW-UHFFFAOYSA-N Synonym: 4-1-piperazinyl-1h-indole,4-piperazin-1-yl-1h-indole,4-piperazino-1h-indole,1h-indole, 4-1-piperazinyl,4-piperazino indole,1-4-indolyl piperazine,1h-indole-4-1-piperazinyl dihydrochloride,4-piperazinoindole,4-piperazino-indole,pubchem22668 PubChem CID: 594590 IUPAC Name: 4-piperazin-1-yl-1H-indole SMILES: C1CN(CCN1)C2=CC=CC3=C2C=CN3

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Specifications

PubChem CID	594590
CAS	84807-09-0
Molecular Weight (g/mol)	201.273
MDL Number	MFCD00831776
SMILES	C1CN(CCN1)C2=CC=CC3=C2C=CN3
Synonym	4-1-piperazinyl-1h-indole,4-piperazin-1-yl-1h-indole,4-piperazino-1h-indole,1h-indole, 4-1-piperazinyl,4-piperazino indole,1-4-indolyl piperazine,1h-indole-4-1-piperazinyl dihydrochloride,4-piperazinoindole,4-piperazino-indole,pubchem22668
IUPAC Name	4-piperazin-1-yl-1H-indole
InChI Key	YZKSXUIOKWQABW-UHFFFAOYSA-N
Molecular Formula	C12H15N3

1,498

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7-(2,3-Dihydroxypropyl)theophylline, 99%

CAS: 479-18-5 Molecular Formula: C₁₀H₁₄N₄O₄ Molecular Weight (g/mol): 254.24 MDL Number: MFCD00005759 InChI Key: KSCFJBIXMNOVSH-UHFFFAOYSA-N Synonym: dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline PubChem CID: 3182 ChEBI: CHEBI:4728 IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O

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Specifications

PubChem CID	3182
CAS	479-18-5
Molecular Weight (g/mol)	254.24
ChEBI	CHEBI:4728
MDL Number	MFCD00005759
SMILES	CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CO)O
Synonym	dyphylline,diprophylline,diphylline,7-2,3-dihydroxypropyl theophylline,diprophyllin,glyphylline,neothylline,lufyllin,aristophyllin,diprofilline
IUPAC Name	7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
InChI Key	KSCFJBIXMNOVSH-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₄N₄O₄

1,499

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2-Thioxanthine, 98+%

CAS: 2487-40-3 Molecular Formula: C5H4N4OS Molecular Weight (g/mol): 168.174 MDL Number: MFCD00031505 InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonym: 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo PubChem CID: 1268185 IUPAC Name: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2

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Specifications

PubChem CID	1268185
CAS	2487-40-3
Molecular Weight (g/mol)	168.174
MDL Number	MFCD00031505
SMILES	C1=NC2=C(N1)C(=O)NC(=S)N2
Synonym	2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo
IUPAC Name	2-sulfanylidene-3,7-dihydropurin-6-one
InChI Key	XNHFAGRBSMMFKL-UHFFFAOYSA-N
Molecular Formula	C5H4N4OS

1,500

Adenine Hemisulfate Dihydrate, ≥99%, MP Biomedicals™

CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

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Specifications

PubChem CID	44134512
CAS	6509-19-9
Molecular Weight (g/mol)	404.36
MDL Number	MFCD00150149
SMILES	O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym	9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2
IUPAC Name	bis(7H-purin-6-amine) sulfuric acid dihydrate
InChI Key	MKPCNMXYTMQZBE-UHFFFAOYSA-N
Molecular Formula	C10H16N10O6S

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