Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.

16 – 30 of 352 results

Thermo Scientific Chemicals Theophylline, 99+%, anhydrous

CAS: 58-55-9 Molecular Formula: C₇H₈N₄O₂ Molecular Weight (g/mol): 180.17 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

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PubChem CID	2153
CAS	58-55-9
Molecular Weight (g/mol)	180.17
ChEBI	CHEBI:28177
MDL Number	MFCD00079619
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC=N2
Synonym	theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur
IUPAC Name	1,3-dimethyl-7H-purine-2,6-dione
InChI Key	ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₄O₂

Thermo Scientific Chemicals Theophylline monohydrate, 99%

CAS: 5967-84-0 Molecular Formula: C7H10N4O3 Molecular Weight (g/mol): 198.182 MDL Number: MFCD00151659 InChI Key: INQSMEFCAIHTJG-UHFFFAOYSA-N Synonym: theophylline monohydrate,quibron,quibron plus,theo-sav,dimethylxanthine,aerolate jr,theoclear-100,unii-c137dtr5rg,c7h8n4o2.h2o,theoclear l.a.-260 PubChem CID: 91268 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione;hydrate SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.O

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Specifications

PubChem CID	91268
CAS	5967-84-0
Molecular Weight (g/mol)	198.182
MDL Number	MFCD00151659
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC=N2.O
Synonym	theophylline monohydrate,quibron,quibron plus,theo-sav,dimethylxanthine,aerolate jr,theoclear-100,unii-c137dtr5rg,c7h8n4o2.h2o,theoclear l.a.-260
IUPAC Name	1,3-dimethyl-7H-purine-2,6-dione;hydrate
InChI Key	INQSMEFCAIHTJG-UHFFFAOYSA-N
Molecular Formula	C7H10N4O3

Thermo Scientific Chemicals Theobromine, 99%

CAS: 83-67-0 Molecular Formula: C₇H₈N₄O₂ Molecular Weight (g/mol): 180.17 MDL Number: MFCD00022830 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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Specifications

PubChem CID	5429
CAS	83-67-0
Molecular Weight (g/mol)	180.17
ChEBI	CHEBI:28946
MDL Number	MFCD00022830
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-Methyladenine, 95%, Thermo Scientific Chemicals

CAS: 5142-22-3 Molecular Formula: C6H7N5 Molecular Weight (g/mol): 149.16 MDL Number: MFCD00010532 InChI Key: HPZMWTNATZPBIH-UHFFFAOYSA-N Synonym: 1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine PubChem CID: 78821 ChEBI: CHEBI:18083 IUPAC Name: 1-methylpurin-6-amine SMILES: CN1C=NC2=NC=NC2=C1N

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Specifications

PubChem CID	78821
CAS	5142-22-3
Molecular Weight (g/mol)	149.16
ChEBI	CHEBI:18083
MDL Number	MFCD00010532
SMILES	CN1C=NC2=NC=NC2=C1N
Synonym	1-methyladenine,1-methyl-1h-purin-6-amine,1h-purin-6-amine, 1-methyl,adenine, 1-methyl,n1-methyladenine,1-methyl-1h-purin-6-ylamine,6h-purin-6-imine, 1,9-dihydro-1-methyl,1-methyl-adenine,1-methyl-9h-purin-6-imine,1-methylhydropurine-6-ylamine
IUPAC Name	1-methylpurin-6-amine
InChI Key	HPZMWTNATZPBIH-UHFFFAOYSA-N
Molecular Formula	C6H7N5

Thermo Scientific Chemicals 3-Isobutyl-1-methylxanthine, 99+%

CAS: 28822-58-4 Molecular Formula: C10H14N4O2 Molecular Weight (g/mol): 222.25 MDL Number: MFCD00005584 InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N Synonym: 3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine PubChem CID: 3758 ChEBI: CHEBI:43253 SMILES: CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O

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PubChem CID	3758
CAS	28822-58-4
Molecular Weight (g/mol)	222.25
ChEBI	CHEBI:43253
MDL Number	MFCD00005584
SMILES	CC(C)CN1C2=C(NC=N2)C(=O)N(C)C1=O
Synonym	3-isobutyl-1-methylxanthine,ibmx,isobutylmethylxanthine,1-methyl-3-isobutylxanthine,methylisobutylxanthine,3-isobutyl-1-methyl-1h-purine-2,6 3h,7h-dione,xanthine, 3-isobutyl-1-methyl,3-isobutyl-1-methyxanthine,1h-purine-2,6-dione, 3,7-dihydro-1-methyl-3-2-methylpropyl,methyl-isobutylxanthine
InChI Key	APIXJSLKIYYUKG-UHFFFAOYSA-N
Molecular Formula	C10H14N4O2

MP Biomedicals, Inc Caffeine anhydrous, 99.7%, MP Biomedicals™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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PubChem CID	2519
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
MDL Number	MFCD00005758
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name	1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula	C8H10N4O2

Thermo Scientific Chemicals 2'-O-Methyladenosine, 99%

CAS: 2140-79-6 Molecular Formula: C11H15N5O4 Molecular Weight (g/mol): 281.27 MDL Number: MFCD00056002 InChI Key: FPUGCISOLXNPPC-IOSLPCCCSA-N Synonym: 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b PubChem CID: 102213 ChEBI: CHEBI:69426 IUPAC Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12

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Specifications

PubChem CID	102213
CAS	2140-79-6
Molecular Weight (g/mol)	281.27
ChEBI	CHEBI:69426
MDL Number	MFCD00056002
SMILES	CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12
Synonym	2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b
IUPAC Name	(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
InChI Key	FPUGCISOLXNPPC-IOSLPCCCSA-N
Molecular Formula	C11H15N5O4

MP Biomedicals, Inc Caffeine Anhydrous MP Biomedicals

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PubChem CID	2519
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
MDL Number	MFCD00005758
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name	1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula	C8H10N4O2

MP Biomedicals, Inc Adenine Hemisulfate Dihydrate 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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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

Thermo Scientific Chemicals Xanthine, 99%

CAS: 69-89-6 Molecular Formula: C5H4N4O2 Molecular Weight (g/mol): 152.113 MDL Number: MFCD00078453 InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N Synonym: xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol PubChem CID: 1188 ChEBI: CHEBI:17712 IUPAC Name: 3,7-dihydropurine-2,6-dione SMILES: C1=NC2=C(N1)C(=O)NC(=O)N2

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Specifications

PubChem CID	1188
CAS	69-89-6
Molecular Weight (g/mol)	152.113
ChEBI	CHEBI:17712
MDL Number	MFCD00078453
SMILES	C1=NC2=C(N1)C(=O)NC(=O)N2
Synonym	xanthine,2,6-dihydroxypurine,xanthin,2,6-dioxopurine,pseudoxanthine,1h-purine-2,6 3h,7h-dione,isoxanthine,xanthic oxide,1h-purine-2,6-diol,9h-purine-2,6-diol
IUPAC Name	3,7-dihydropurine-2,6-dione
InChI Key	LRFVTYWOQMYALW-UHFFFAOYSA-N
Molecular Formula	C5H4N4O2

Adenine 99.0+%, TCI America™

CAS: 73-24-5 Molecular Formula: C5H5N5 Molecular Weight (g/mol): 135.13 MDL Number: MFCD00041790 InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N Synonym: adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine PubChem CID: 190 ChEBI: CHEBI:16708 IUPAC Name: 7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC=N1

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Specifications

PubChem CID	190
CAS	73-24-5
Molecular Weight (g/mol)	135.13
ChEBI	CHEBI:16708
MDL Number	MFCD00041790
SMILES	NC1=C2NC=NC2=NC=N1
Synonym	adenine,1h-purin-6-amine,6-aminopurine,9h-purin-6-amine,vitamin b4,adenin,adeninimine,leuco-4,6-amino-1h-purine,6-amino-3h-purine
IUPAC Name	7H-purin-6-amine
InChI Key	GFFGJBXGBJISGV-UHFFFAOYSA-N
Molecular Formula	C5H5N5

Tenofovir disoproxil fumarate, 98%, Thermo Scientific Chemicals

CAS: 202138-50-9 Molecular Formula: C₁₉H₃₀N₅O₁₀P·C₄H₄O₄ Molecular Weight (g/mol): 635.51 InChI Key: VCMJCVGFSROFHV-WZGZYPNHSA-N Synonym: tenofovir disoproxil fumarate,viread,tenofovir df,unii-ott9j7900i,tenofovir disoproxil fumarate usan,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate,r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1 PubChem CID: 6398764 ChEBI: CHEBI:63718 IUPAC Name: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid SMILES: CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O

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PubChem CID	6398764
CAS	202138-50-9
Molecular Weight (g/mol)	635.51
ChEBI	CHEBI:63718
SMILES	CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C1N=CN=C2N)OCOC(=O)OC(C)C.C(=CC(=O)O)C(=O)O
Synonym	tenofovir disoproxil fumarate,viread,tenofovir df,unii-ott9j7900i,tenofovir disoproxil fumarate usan,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine, fumarate,r-5-2-6-amino-9h-purin-9-yl-1-methylethoxy methyl-2,4,6,8-tetraoxa-5-phosphanonanedioic acid, bis 1-methylethyl ester, 5-oxide, e-2-butenedioate 1:1,9-r-2-bis isopropoxycarbonyl oxy methoxy phosphinyl methoxy propyl adenine fumarate 1:1
IUPAC Name	[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid
InChI Key	VCMJCVGFSROFHV-WZGZYPNHSA-N
Molecular Formula	C₁₉H₃₀N₅O₁₀P·C₄H₄O₄

Thermo Scientific Chemicals 8-Bromoadenine

CAS: 6974-78-3 Molecular Formula: C5H4BrN5 Molecular Weight (g/mol): 214.03 MDL Number: MFCD00082518 InChI Key: FVXHPCVBOXMRJP-UHFFFAOYSA-N Synonym: 8-bromoadenine,8-bromo-9h-purin-6-amine,6-amino-8-bromopurine,8-br-adenine,8-bromo-1h-adenine,8-bromo-1h-purin-6-amine,8-bromo-9h-purin-6-ylamine,8-bromopurine-6-ylamine,chembl65747,9h-purin-6-amine, 8-bromo PubChem CID: 81457 IUPAC Name: 8-bromo-7H-purin-6-amine SMILES: NC1=C2NC(Br)=NC2=NC=N1

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PubChem CID	81457
CAS	6974-78-3
Molecular Weight (g/mol)	214.03
MDL Number	MFCD00082518
SMILES	NC1=C2NC(Br)=NC2=NC=N1
Synonym	8-bromoadenine,8-bromo-9h-purin-6-amine,6-amino-8-bromopurine,8-br-adenine,8-bromo-1h-adenine,8-bromo-1h-purin-6-amine,8-bromo-9h-purin-6-ylamine,8-bromopurine-6-ylamine,chembl65747,9h-purin-6-amine, 8-bromo
IUPAC Name	8-bromo-7H-purin-6-amine
InChI Key	FVXHPCVBOXMRJP-UHFFFAOYSA-N
Molecular Formula	C5H4BrN5

Thermo Scientific Chemicals 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

Thermo Scientific Chemicals 3-Methylxanthine, 98+%

CAS: 1076-22-8 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00005580 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2

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Specifications

PubChem CID	70639
CAS	1076-22-8
Molecular Weight (g/mol)	166.14
ChEBI	CHEBI:62207
MDL Number	MFCD00005580
SMILES	CN1C2=C(C(=O)NC1=O)NC=N2
Synonym	3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817
IUPAC Name	3-methyl-7H-purine-2,6-dione
InChI Key	GMSNIKWWOQHZGF-UHFFFAOYSA-N
Molecular Formula	C6H6N4O2

Imidazopyrimidines

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Adenine 99.0+%, TCI America™