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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3,451 – 3,465 of 270,448 results

3,451

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9-Aminoacridine hemihydrate, 98%

CAS: 65944-23-2 Molecular Formula: C₁₃H₁₀N₂·₁/₂H₂O Molecular Weight (g/mol): 203.16 MDL Number: MFCD00150520 InChI Key: SPWFQHCZHQCDAG-UHFFFAOYSA-N Synonym: acridin-9-amine hydrate,9-aminoacridine hemihydrate PubChem CID: 2723763 IUPAC Name: acridin-9-amine;hydrate SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O

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PubChem CID	2723763
CAS	65944-23-2
Molecular Weight (g/mol)	203.16
MDL Number	MFCD00150520
SMILES	C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.O
Synonym	acridin-9-amine hydrate,9-aminoacridine hemihydrate
IUPAC Name	acridin-9-amine;hydrate
InChI Key	SPWFQHCZHQCDAG-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₀N₂·₁/₂H₂O

3,452

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Quinidine, 98%, anhydrous

CAS: 56-54-2 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00135581,MFCD00198096 InChI Key: LOUPRKONTZGTKE-LHHVKLHASA-N Synonym: quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine PubChem CID: 441074 ChEBI: CHEBI:28593 SMILES: COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1

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PubChem CID	441074
CAS	56-54-2
Molecular Weight (g/mol)	324.42
ChEBI	CHEBI:28593
MDL Number	MFCD00135581,MFCD00198096
SMILES	COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1
Synonym	quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine
InChI Key	LOUPRKONTZGTKE-LHHVKLHASA-N
Molecular Formula	C20H24N2O2

3,453

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Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate, 98%

CAS: 5909-24-0 Molecular Formula: C₈H₉ClN₂O₂S Molecular Weight (g/mol): 232.68 MDL Number: MFCD00006085 InChI Key: SNNHLSHDDGJVDM-UHFFFAOYSA-N Synonym: ethyl 4-chloro-2-methylthio pyrimidine-5-carboxylate,ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate,ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate,4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester,ethyl 4-chloro-2-methylsulfanyl pyrimidine-5-carboxylate,2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine,4-chloro-5-carbethoxy-2-methylthiopyrimidine,5-pyrimidinecarboxylic acid, 4-chloro-2-methylthio-, ethyl ester,4-chloro-2-methylthio pyrimidine-5-carboxylic acid ethyl ester,4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester PubChem CID: 80008 IUPAC Name: ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN=C(N=C1Cl)SC

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PubChem CID	80008
CAS	5909-24-0
Molecular Weight (g/mol)	232.68
MDL Number	MFCD00006085
SMILES	CCOC(=O)C1=CN=C(N=C1Cl)SC
Synonym	ethyl 4-chloro-2-methylthio pyrimidine-5-carboxylate,ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate,ethyl 4-chloro-2-methylthiopyrimidine-5-carboxylate,4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester,ethyl 4-chloro-2-methylsulfanyl pyrimidine-5-carboxylate,2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine,4-chloro-5-carbethoxy-2-methylthiopyrimidine,5-pyrimidinecarboxylic acid, 4-chloro-2-methylthio-, ethyl ester,4-chloro-2-methylthio pyrimidine-5-carboxylic acid ethyl ester,4-chloro-2-methylsulfanylpyrimidine-5-carboxylic acid ethyl ester
IUPAC Name	ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
InChI Key	SNNHLSHDDGJVDM-UHFFFAOYSA-N
Molecular Formula	C₈H₉ClN₂O₂S

3,454

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5-Bromocytosine, 99%, Thermo Scientific Chemicals

CAS: 2240-25-7 Molecular Formula: C4H4BrN3O Molecular Weight (g/mol): 190.00 MDL Number: MFCD00056025 InChI Key: QFVKLKDEXOWFSL-UHFFFAOYSA-N Synonym: 5-bromocytosine,4-amino-5-bromopyrimidin-2 1h-one,6-amino-5-bromopyrimidin-2 1h-one,4-amino-5-bromo-2-pyrimidinol,4-amino-5-bromopyrimidin-2-ol,2 1h-pyrimidinone, 4-amino-5-bromo,4-amino-5-bromo-2-hydroxypyrimidine,2 1h-pyrimidinone,6-amino-5-bromo,6-amino-5-bromo-1,2-dihydropyrimidin-2-one,4-amino-5-bromo-1,2-dihydropyrimidin-2-one PubChem CID: 75233 IUPAC Name: 6-amino-5-bromo-1H-pyrimidin-2-one SMILES: NC1=C(Br)C=NC(=O)N1

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PubChem CID	75233
CAS	2240-25-7
Molecular Weight (g/mol)	190.00
MDL Number	MFCD00056025
SMILES	NC1=C(Br)C=NC(=O)N1
Synonym	5-bromocytosine,4-amino-5-bromopyrimidin-2 1h-one,6-amino-5-bromopyrimidin-2 1h-one,4-amino-5-bromo-2-pyrimidinol,4-amino-5-bromopyrimidin-2-ol,2 1h-pyrimidinone, 4-amino-5-bromo,4-amino-5-bromo-2-hydroxypyrimidine,2 1h-pyrimidinone,6-amino-5-bromo,6-amino-5-bromo-1,2-dihydropyrimidin-2-one,4-amino-5-bromo-1,2-dihydropyrimidin-2-one
IUPAC Name	6-amino-5-bromo-1H-pyrimidin-2-one
InChI Key	QFVKLKDEXOWFSL-UHFFFAOYSA-N
Molecular Formula	C4H4BrN3O

3,455

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(+/-)-1,4-Diazabicyclo[4.4.0]decane, 98+%

CAS: 4430-75-5 Molecular Formula: C8H16N2 Molecular Weight (g/mol): 140.23 MDL Number: MFCD01098257 InChI Key: ONHPOXROAPYCGT-UHFFFAOYNA-N Synonym: octahydro-1h-pyrido 1,2-a pyrazine,octahydro-2h-pyrido 1,2-a pyrazine,octahydro-pyrido 1,2-a pyrazine,1,4-diazabicyclo 4.4.0 decane,octahydro-1h-pyrido 1,2-a piperazine,chembl98511,octahydropyrido 1,2-a pyrazine,2,3,4,6,7,8,9,9a-octahydro-1h-pyrido 1,2-a pyrazine,+/--1,4-diazabicyclo,octahydropyrido 1,2-a-pyrazine PubChem CID: 2876391 IUPAC Name: octahydro-1H-pyrido[1,2-a]pyrazine SMILES: C1CCN2CCNCC2C1

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PubChem CID	2876391
CAS	4430-75-5
Molecular Weight (g/mol)	140.23
MDL Number	MFCD01098257
SMILES	C1CCN2CCNCC2C1
Synonym	octahydro-1h-pyrido 1,2-a pyrazine,octahydro-2h-pyrido 1,2-a pyrazine,octahydro-pyrido 1,2-a pyrazine,1,4-diazabicyclo 4.4.0 decane,octahydro-1h-pyrido 1,2-a piperazine,chembl98511,octahydropyrido 1,2-a pyrazine,2,3,4,6,7,8,9,9a-octahydro-1h-pyrido 1,2-a pyrazine,+/--1,4-diazabicyclo,octahydropyrido 1,2-a-pyrazine
IUPAC Name	octahydro-1H-pyrido[1,2-a]pyrazine
InChI Key	ONHPOXROAPYCGT-UHFFFAOYNA-N
Molecular Formula	C8H16N2

3,456

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Citrazinic acid, 98%

CAS: 99-11-6 Molecular Formula: C6H5NO4 Molecular Weight (g/mol): 155.11 MDL Number: MFCD00006274 InChI Key: CSGQJHQYWJLPKY-UHFFFAOYSA-N Synonym: citrazinic acid,2,6-dihydroxyisonicotinic acid,2,6-dihydroxypyridine-4-carboxylic acid,2,6-dihydroxy-4-carboxypyridine,2,6-dihydroxy-4-pyridinecarboxylic acid,kyselina citrazinova,2,6-dihydroxyisonicotinate,4-pyridinecarboxylic acid, 2,6-dihydroxy,citrazinicacid,4-pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo PubChem CID: 7425 IUPAC Name: 2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid SMILES: OC(=O)C1=CC(=O)NC(O)=C1

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PubChem CID	7425
CAS	99-11-6
Molecular Weight (g/mol)	155.11
MDL Number	MFCD00006274
SMILES	OC(=O)C1=CC(=O)NC(O)=C1
Synonym	citrazinic acid,2,6-dihydroxyisonicotinic acid,2,6-dihydroxypyridine-4-carboxylic acid,2,6-dihydroxy-4-carboxypyridine,2,6-dihydroxy-4-pyridinecarboxylic acid,kyselina citrazinova,2,6-dihydroxyisonicotinate,4-pyridinecarboxylic acid, 2,6-dihydroxy,citrazinicacid,4-pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo
IUPAC Name	2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
InChI Key	CSGQJHQYWJLPKY-UHFFFAOYSA-N
Molecular Formula	C6H5NO4

3,457

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N,N'-Di-Boc-1H-pyrazole-1-carboxamidine, 98+%

CAS: 152120-54-2 Molecular Formula: C14H22N4O4 Molecular Weight (g/mol): 310.354 MDL Number: MFCD01075122 InChI Key: QFNFDHNZVTWZED-UHFFFAOYSA-N Synonym: n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole PubChem CID: 6383521 IUPAC Name: tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate SMILES: CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1

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PubChem CID	6383521
CAS	152120-54-2
Molecular Weight (g/mol)	310.354
MDL Number	MFCD01075122
SMILES	CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N1C=CC=N1
Synonym	n,n'-di-boc-1h-pyrazole-1-carboxamidine,bis-boc-pyrazolocarboxamidine,pyrazol boc 2,n,n-bis-boc-1-guanylpyrazole,n,n'-bis-boc-1-guanylpyrazol,n,n'-bis-boc-1-guanylpyrazole,n,n'-bisboc-pyrazole-1-carboximidamide,tert-butyl tert-butoxycarbonyl amino 1h-pyrazol-1-yl methylene carbamate,tert-butyl boc-amino 1h-pyrazol-1-yl methylene carbamate,1-n,n'-di-boc amidino pyrazole
IUPAC Name	tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrazol-1-ylmethylidene]carbamate
InChI Key	QFNFDHNZVTWZED-UHFFFAOYSA-N
Molecular Formula	C14H22N4O4

3,458

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1-Methylpyrrolidine, 98%

CAS: 120-94-5 Molecular Formula: C5H11N Molecular Weight (g/mol): 85.15 MDL Number: MFCD00003173 InChI Key: AVFZOVWCLRSYKC-UHFFFAOYSA-N Synonym: n-methylpyrrolidine,methylpyrrolidine,n-methyltetrahydropyrrole,pyrrolidine, 1-methyl,n-methyl pyrrolidine,1-methyl-pyrrolidine,pyrrolidine, n-methyl,unii-06509tzu6c,methyl pyrrolidine PubChem CID: 8454 IUPAC Name: 1-methylpyrrolidine SMILES: CN1CCCC1

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PubChem CID	8454
CAS	120-94-5
Molecular Weight (g/mol)	85.15
MDL Number	MFCD00003173
SMILES	CN1CCCC1
Synonym	n-methylpyrrolidine,methylpyrrolidine,n-methyltetrahydropyrrole,pyrrolidine, 1-methyl,n-methyl pyrrolidine,1-methyl-pyrrolidine,pyrrolidine, n-methyl,unii-06509tzu6c,methyl pyrrolidine
IUPAC Name	1-methylpyrrolidine
InChI Key	AVFZOVWCLRSYKC-UHFFFAOYSA-N
Molecular Formula	C5H11N

3,459

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Methyl isonicotinate, 98%

CAS: 9-8-2459 Molecular Formula: C₇H₇NO₂ Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006427 InChI Key: OLXYLDUSSBULGU-UHFFFAOYSA-N SMILES: COC(=O)C1=CC=NC=C1

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CAS	9-8-2459
Molecular Weight (g/mol)	137.14
MDL Number	MFCD00006427
SMILES	COC(=O)C1=CC=NC=C1
InChI Key	OLXYLDUSSBULGU-UHFFFAOYSA-N
Molecular Formula	C₇H₇NO₂

3,460

4-Nitropyridine N-oxide, 97%

CAS: 1124-33-0 Molecular Formula: C5H4N2O3 Molecular Weight (g/mol): 140.10 MDL Number: MFCD00006206 InChI Key: RXKNNAKAVAHBNK-UHFFFAOYSA-N Synonym: 4-nitropyridine n-oxide,4-nitropyridine 1-oxide,4-nitropyridine-n-oxide,4-nitropyridine-1-oxide,pyridine, 4-nitro-, 1-oxide,4-nitropyridin-1-ium-1-olate,p-nitropyridine n-oxide,4-nitropyridine oxide,4-nitro-n-oxopyridine,4-nitro-1-oxido-pyridin-1-ium PubChem CID: 14300 SMILES: [O-][N+](=O)C1=CC=[N+]([O-])C=C1

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PubChem CID	14300
CAS	1124-33-0
Molecular Weight (g/mol)	140.10
MDL Number	MFCD00006206
SMILES	[O-][N+](=O)C1=CC=[N+]([O-])C=C1
Synonym	4-nitropyridine n-oxide,4-nitropyridine 1-oxide,4-nitropyridine-n-oxide,4-nitropyridine-1-oxide,pyridine, 4-nitro-, 1-oxide,4-nitropyridin-1-ium-1-olate,p-nitropyridine n-oxide,4-nitropyridine oxide,4-nitro-n-oxopyridine,4-nitro-1-oxido-pyridin-1-ium
InChI Key	RXKNNAKAVAHBNK-UHFFFAOYSA-N
Molecular Formula	C5H4N2O3

3,461

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2-Mercapto-1-methylimidazole, 98%

CAS: 60-56-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.17 MDL Number: MFCD00179321 InChI Key: PMRYVIKBURPHAH-UHFFFAOYSA-N Synonym: methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol PubChem CID: 1349907 ChEBI: CHEBI:50673 IUPAC Name: 3-methyl-1H-imidazole-2-thione SMILES: CN1C=CNC1=S

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PubChem CID	1349907
CAS	60-56-0
Molecular Weight (g/mol)	114.17
ChEBI	CHEBI:50673
MDL Number	MFCD00179321
SMILES	CN1C=CNC1=S
Synonym	methimazole,thiamazole,2-mercapto-1-methylimidazole,tapazole,mercazolyl,1-methylimidazole-2-thiol,mercazole,metazolo,methimazol,thiamazol
IUPAC Name	3-methyl-1H-imidazole-2-thione
InChI Key	PMRYVIKBURPHAH-UHFFFAOYSA-N
Molecular Formula	C4H6N2S

3,462

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2-Oxazolidone, 98%

CAS: 497-25-6 Molecular Formula: C3H5NO2 Molecular Weight (g/mol): 87.08 MDL Number: MFCD00005268 InChI Key: IZXIZTKNFFYFOF-UHFFFAOYSA-N Synonym: 2-oxazolidone,oxazolidin-2-one,2-oxazolidinone,oxazolidinone,oxazolidone,oxazolidinones,unii-z4d49w92pp,carbamic acid, 2-hydroxyethyl-, gamma-lactone,wln: t5mvotj,carbamic acid, .gamma.-lactone PubChem CID: 73949 ChEBI: CHEBI:1237 IUPAC Name: 1,3-oxazolidin-2-one SMILES: O=C1NCCO1

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PubChem CID	73949
CAS	497-25-6
Molecular Weight (g/mol)	87.08
ChEBI	CHEBI:1237
MDL Number	MFCD00005268
SMILES	O=C1NCCO1
Synonym	2-oxazolidone,oxazolidin-2-one,2-oxazolidinone,oxazolidinone,oxazolidone,oxazolidinones,unii-z4d49w92pp,carbamic acid, 2-hydroxyethyl-, gamma-lactone,wln: t5mvotj,carbamic acid, .gamma.-lactone
IUPAC Name	1,3-oxazolidin-2-one
InChI Key	IZXIZTKNFFYFOF-UHFFFAOYSA-N
Molecular Formula	C3H5NO2

3,463

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5,5-Diphenylhydantoin, 99%

CAS: 57-41-0 Molecular Formula: C15H12N2O2 Molecular Weight (g/mol): 252.273 MDL Number: MFCD00005264 InChI Key: CXOFVDLJLONNDW-UHFFFAOYSA-N Synonym: phenytoin,5,5-diphenylhydantoin,diphenylhydantoin,dilantin,phenytoine,dihydantoin,aleviatin,dilabid,diphantoin,diphenylan PubChem CID: 1775 ChEBI: CHEBI:8107 IUPAC Name: 5,5-diphenylimidazolidine-2,4-dione SMILES: C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3

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PubChem CID	1775
CAS	57-41-0
Molecular Weight (g/mol)	252.273
ChEBI	CHEBI:8107
MDL Number	MFCD00005264
SMILES	C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
Synonym	phenytoin,5,5-diphenylhydantoin,diphenylhydantoin,dilantin,phenytoine,dihydantoin,aleviatin,dilabid,diphantoin,diphenylan
IUPAC Name	5,5-diphenylimidazolidine-2,4-dione
InChI Key	CXOFVDLJLONNDW-UHFFFAOYSA-N
Molecular Formula	C15H12N2O2

3,464

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4-Hydroxyquinazoline, 98%

CAS: 491-36-1 Molecular Formula: C8H6N2O Molecular Weight (g/mol): 146.149 MDL Number: MFCD00511302 InChI Key: QMNUDYFKZYBWQX-UHFFFAOYSA-N Synonym: 4-hydroxyquinazoline,4-quinazolinol,quinazolin-4-ol,quinazolin-4 3h-one,4 3h-quinazolinone,4-quinazolone,4-quinazolinone,4 1h-quinazolinone,4-oxoquinazoline,3,4-dihydroquinazolin-4-one PubChem CID: 63112 IUPAC Name: 1H-quinazolin-4-one SMILES: C1=CC=C2C(=C1)C(=O)N=CN2

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PubChem CID	63112
CAS	491-36-1
Molecular Weight (g/mol)	146.149
MDL Number	MFCD00511302
SMILES	C1=CC=C2C(=C1)C(=O)N=CN2
Synonym	4-hydroxyquinazoline,4-quinazolinol,quinazolin-4-ol,quinazolin-4 3h-one,4 3h-quinazolinone,4-quinazolone,4-quinazolinone,4 1h-quinazolinone,4-oxoquinazoline,3,4-dihydroquinazolin-4-one
IUPAC Name	1H-quinazolin-4-one
InChI Key	QMNUDYFKZYBWQX-UHFFFAOYSA-N
Molecular Formula	C8H6N2O

3,465

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2,4,5-Triphenylimidazole, 97%

CAS: 484-47-9 Molecular Formula: C21H16N2 Molecular Weight (g/mol): 296.373 MDL Number: MFCD00005187 InChI Key: RNIPJYFZGXJSDD-UHFFFAOYSA-N Synonym: 2,4,5-triphenylimidazole,lophine,lophin,1h-imidazole, 2,4,5-triphenyl,2,4,5-triphenyl-1,3-imidazole,unii-q6k46g80zd,imidazole, 2,4,5-triphenyl,chembl34173,2,5-triphenylimidazole,imidazole,4,5-triphenyl PubChem CID: 10232 IUPAC Name: 2,4,5-triphenyl-1H-imidazole SMILES: C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

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Specifications

PubChem CID	10232
CAS	484-47-9
Molecular Weight (g/mol)	296.373
MDL Number	MFCD00005187
SMILES	C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4
Synonym	2,4,5-triphenylimidazole,lophine,lophin,1h-imidazole, 2,4,5-triphenyl,2,4,5-triphenyl-1,3-imidazole,unii-q6k46g80zd,imidazole, 2,4,5-triphenyl,chembl34173,2,5-triphenylimidazole,imidazole,4,5-triphenyl
IUPAC Name	2,4,5-triphenyl-1H-imidazole
InChI Key	RNIPJYFZGXJSDD-UHFFFAOYSA-N
Molecular Formula	C21H16N2

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