CAS RN: 4061-78-3
CAS Name: [3,4-dihydroxy-5-(1-hydroxy-6-imino-9-purinyl)-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [3,4-dihydroxy-5-(1-hydroxy-6-imino-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [3,4-dihydroxy-5-(1-hydroxy-6-iminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [5-(6-azanylidene-1-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H14N5O8P
MOLECULAR WEIGHT: 363.220621
SMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CN(C2=N)O
Structure:
CAS RN: 92150-21-5
CAS Name: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[(6-thioxo-3H-purin-9-yl)methyl]benzoate
IUPAC Name: methyl 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoate
SYSTEMATIC NAME: methyl 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzoate
MOLECULAR FORMULA: C14H12N4O2S
MOLECULAR WEIGHT: 300.33568
SMILES: COC(=O)C1=CC=C(C=C1)CN2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 66695-94-1
CAS Name: 1-(4-aminophenyl)-3-phenylthiourea
OPENEYE Name: 1-(4-aminophenyl)-3-phenyl-thiourea
IUPAC Name: 1-(4-aminophenyl)-3-phenylthiourea
SYSTEMATIC NAME: 1-(4-aminophenyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C13H13N3S
MOLECULAR WEIGHT: 243.32742
SMILES: C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)N
Structure:
CAS RN: 5000-61-3
CAS Name: N-[[2-[(2,4-dinitrophenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]-2,4-dinitroaniline
OPENEYE Name: N-[[2-[(2,4-dinitrophenyl)hydrazono]-1,2-diphenyl-ethylidene]amino]-2,4-dinitro-aniline
IUPAC Name: N-[[2-[(2,4-dinitrophenyl)hydrazinylidene]-1,2-diphenylethylidene]amino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[[2-[(2,4-dinitrophenyl)hydrazinylidene]-1,2-diphenyl-ethylidene]amino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C26H18N8O8
MOLECULAR WEIGHT: 570.46992
SMILES: C1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4
Structure:
CAS RN: 7512-39-2
CAS Name: 2-(2-phenylethenyl)-3,7-bis[(phenylmethylene)amino]-4-quinazolinone
OPENEYE Name: 3,7-bis(benzylideneamino)-2-styryl-quinazolin-4-one
IUPAC Name: 3,7-bis(benzylideneamino)-2-(2-phenylethenyl)quinazolin-4-one
SYSTEMATIC NAME: 2-(2-phenylethenyl)-3,7-bis[(phenylmethylidene)amino]quinazolin-4-one
MOLECULAR FORMULA: C30H22N4O
MOLECULAR WEIGHT: 454.52188
SMILES: C1=CC=C(C=C1)C=CC2=NC3=C(C=CC(=C3)N=CC4=CC=CC=C4)C(=O)N2N=CC5=CC=CC=C5
Structure:
CAS RN: 6960-21-0
CAS Name: 3-methyl-5-nitro-1H-pyridine-2-thione
OPENEYE Name: 3-methyl-5-nitro-1H-pyridine-2-thione
IUPAC Name: 3-methyl-5-nitro-1H-pyridine-2-thione
SYSTEMATIC NAME: 3-methyl-5-nitro-1H-pyridine-2-thione
MOLECULAR FORMULA: C6H6N2O2S
MOLECULAR WEIGHT: 170.18904
SMILES: CC1=CC(=CNC1=S)[N+](=O)[O-]
Structure:
CAS RN: 19923-09-2
CAS Name: N-[(5-amino-1,2,4-triazol-1-yl)-sulfanylidenemethyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-(5-amino-1,2,4-triazole-1-carbothioyl)carbamate
IUPAC Name: ethyl N-(5-amino-1,2,4-triazole-1-carbothioyl)carbamate
SYSTEMATIC NAME: ethyl N-[(5-azanyl-1,2,4-triazol-1-yl)carbothioyl]carbamate
MOLECULAR FORMULA: C6H9N5O2S
MOLECULAR WEIGHT: 215.23296
SMILES: CCOC(=O)NC(=S)N1C(=NC=N1)N
Structure:
CAS RN: 31816-70-3
CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoate
OPENEYE Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate
IUPAC Name: 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate
SYSTEMATIC NAME: 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate
MOLECULAR FORMULA: C18H16N3O5S-
MOLECULAR WEIGHT: 386.40174
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)[O-]
Structure:
CAS RN: 32600-73-0
CAS Name: 2-(methylamino)benzenecarbothioamide
OPENEYE Name: 2-(methylamino)benzenecarbothioamide
IUPAC Name: 2-(methylamino)benzenecarbothioamide
SYSTEMATIC NAME: 2-(methylamino)benzenecarbothioamide
MOLECULAR FORMULA: C8H10N2S
MOLECULAR WEIGHT: 166.2434
SMILES: CNC1=CC=CC=C1C(=S)N
Structure:
CAS RN: 56742-23-5
CAS Name: N-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)-4-azidobenzamide
OPENEYE Name: N-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)-4-azido-benzamide
IUPAC Name: N-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)-4-azidobenzamide
SYSTEMATIC NAME: N-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)-4-azido-benzamide
MOLECULAR FORMULA: C12H11N7O2
MOLECULAR WEIGHT: 285.26144
SMILES: CC1=C(C(=O)N=C(N1)N)NC(=O)C2=CC=C(C=C2)N=[N+]=[N-]
Structure:
CAS RN: 16691-28-4
CAS Name: N'-[anilino(sulfanylidene)methyl]carbamimidothioic acid methyl ester
OPENEYE Name: 1-[amino(methylsulfanyl)methylene]-3-phenyl-thiourea
IUPAC Name: methyl N'-(phenylcarbamothioyl)carbamimidothioate
SYSTEMATIC NAME: methyl N'-(phenylcarbamothioyl)carbamimidothioate
MOLECULAR FORMULA: C9H11N3S2
MOLECULAR WEIGHT: 225.33374
SMILES: CSC(=NC(=S)NC1=CC=CC=C1)N
Structure:
CAS RN: 14633-58-0
CAS Name: 1-(benzenesulfonyl)-3-(2-chloro-4-nitrophenyl)thiourea
OPENEYE Name: 1-(benzenesulfonyl)-3-(2-chloro-4-nitro-phenyl)thiourea
IUPAC Name: 1-(benzenesulfonyl)-3-(2-chloro-4-nitrophenyl)thiourea
SYSTEMATIC NAME: 1-(2-chloranyl-4-nitro-phenyl)-3-(phenylsulfonyl)thiourea
MOLECULAR FORMULA: C13H10ClN3O4S2
MOLECULAR WEIGHT: 371.8192
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 19322-27-1
CAS Name: 4-hydroxy-5-methyl-3-furanone
OPENEYE Name: 4-hydroxy-5-methyl-furan-3-one
IUPAC Name: 4-hydroxy-5-methylfuran-3-one
SYSTEMATIC NAME: 5-methyl-4-oxidanyl-furan-3-one
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: CC1=C(C(=O)CO1)O
Structure:
CAS RN: 7332-00-5
CAS Name: 1-azidobutane
OPENEYE Name: 1-azidobutane
IUPAC Name: 1-azidobutane
SYSTEMATIC NAME: 1-azidobutane
MOLECULAR FORMULA: C4H9N3
MOLECULAR WEIGHT: 99.13436
SMILES: CCCCN=[N+]=[N-]
Structure:
CAS RN: 77414-54-1
CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
OPENEYE Name: N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
SYSTEMATIC NAME: N-(4-chloranyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
MOLECULAR FORMULA: C11H9ClN2OS
MOLECULAR WEIGHT: 252.71996
SMILES: C1CC1C(=O)NC2=NC3=C(S2)C=CC=C3Cl
Structure:
CAS RN: 6379-28-8
CAS Name: 1-[2-[1-(4-chlorophenyl)-1-hydroxy-3-oxo-2-isoindolyl]ethyl]-3-phenylurea
OPENEYE Name: 1-[2-[1-(4-chlorophenyl)-1-hydroxy-3-oxo-isoindolin-2-yl]ethyl]-3-phenyl-urea
IUPAC Name: 1-[2-[1-(4-chlorophenyl)-1-hydroxy-3-oxoisoindol-2-yl]ethyl]-3-phenylurea
SYSTEMATIC NAME: 1-[2-[1-(4-chlorophenyl)-1-oxidanyl-3-oxidanylidene-isoindol-2-yl]ethyl]-3-phenyl-urea
MOLECULAR FORMULA: C23H20ClN3O3
MOLECULAR WEIGHT: 421.8762
SMILES: C1=CC=C(C=C1)NC(=O)NCCN2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O
Structure:
CAS RN: 5988-44-3
CAS Name: 5-acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
OPENEYE Name: 5-acetyl-6-(3-ethoxy-4-hydroxy-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
IUPAC Name: 5-acetyl-6-(3-ethoxy-4-hydroxyphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
SYSTEMATIC NAME: 5-ethanoyl-6-(3-ethoxy-4-oxidanyl-phenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
MOLECULAR FORMULA: C25H28N2O4
MOLECULAR WEIGHT: 420.50082
SMILES: CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C)O
Structure:
CAS RN: 31181-06-3
CAS Name: 1-[(carbamothioylhydrazinylidene)methyl]-5-isoquinolinecarboxylic acid
OPENEYE Name: 1-[(carbamothioylhydrazono)methyl]isoquinoline-5-carboxylic acid
IUPAC Name: 1-[(carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid
SYSTEMATIC NAME: 1-[(carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid
MOLECULAR FORMULA: C12H10N4O2S
MOLECULAR WEIGHT: 274.2984
SMILES: C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)C(=O)O
Structure:
CAS RN: 6086-29-9
CAS Name: N-(4-amino-3-nitrophenyl)acetamide
OPENEYE Name: N-(4-amino-3-nitro-phenyl)acetamide
IUPAC Name: N-(4-amino-3-nitrophenyl)acetamide
SYSTEMATIC NAME: N-(4-azanyl-3-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C8H9N3O3
MOLECULAR WEIGHT: 195.17536
SMILES: CC(=O)NC1=CC(=C(C=C1)N)[N+](=O)[O-]
Structure:
CAS RN: 157701-72-9
CAS Name: 2-fluoro-4-nitrobenzaldehyde
OPENEYE Name: 2-fluoro-4-nitro-benzaldehyde
IUPAC Name: 2-fluoro-4-nitrobenzaldehyde
SYSTEMATIC NAME: 2-fluoranyl-4-nitro-benzaldehyde
MOLECULAR FORMULA: C7H4FNO3
MOLECULAR WEIGHT: 169.109963
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)C=O
Structure:
CAS RN: 53449-53-9
CAS Name: 3,6-dihydroimidazo[4,5-f]quinazoline-9-thione
OPENEYE Name: 3,6-dihydroimidazo[4,5-f]quinazoline-9-thione
IUPAC Name: 3,6-dihydroimidazo[4,5-f]quinazoline-9-thione
SYSTEMATIC NAME: 3,6-dihydroimidazo[4,5-f]quinazoline-9-thione
MOLECULAR FORMULA: C9H6N4S
MOLECULAR WEIGHT: 202.23574
SMILES: C1=CC2=C(C3=C1NC=NC3=S)N=CN2
Structure:
CAS RN: 53449-36-8
CAS Name: 7-(phenylmethyl)-1H-imidazo[4,5-g]quinazoline-8-thione
OPENEYE Name: 7-benzyl-1H-imidazo[4,5-g]quinazoline-8-thione
IUPAC Name: 7-benzyl-1H-imidazo[4,5-g]quinazoline-8-thione
SYSTEMATIC NAME: 7-(phenylmethyl)-1H-imidazo[4,5-g]quinazoline-8-thione
MOLECULAR FORMULA: C16H12N4S
MOLECULAR WEIGHT: 292.35828
SMILES: C1=CC=C(C=C1)CN2C=NC3=CC4=C(C=C3C2=S)NC=N4
Structure:
CAS RN: 53449-19-7
CAS Name: 1,5-dihydroimidazo[4,5-g]quinazoline-8-thione
OPENEYE Name: 1,5-dihydroimidazo[4,5-g]quinazoline-8-thione
IUPAC Name: 1,5-dihydroimidazo[4,5-g]quinazoline-8-thione
SYSTEMATIC NAME: 1,5-dihydroimidazo[4,5-g]quinazoline-8-thione
MOLECULAR FORMULA: C9H6N4S
MOLECULAR WEIGHT: 202.23574
SMILES: C1=C2C(=CC3=C1NC=N3)NC=NC2=S
Structure:
CAS RN: 161607-20-1
CAS Name: 1-(1-ethoxyprop-2-enyl)benzotriazole
OPENEYE Name: 1-(1-ethoxyallyl)benzotriazole
IUPAC Name: 1-(1-ethoxyprop-2-enyl)benzotriazole
SYSTEMATIC NAME: 1-(1-ethoxyprop-2-enyl)benzotriazole
MOLECULAR FORMULA: C11H13N3O
MOLECULAR WEIGHT: 203.24042
SMILES: CCOC(C=C)N1C2=CC=CC=C2N=N1
Structure:
CAS RN: 57056-55-0
CAS Name: 3-diazonio-4-methoxycarbonyl-1-(4-methoxycarbonylphenyl)-2-pyrrololate
OPENEYE Name: 3-diazonio-4-methoxycarbonyl-1-(4-methoxycarbonylphenyl)pyrrol-2-olate
IUPAC Name: 3-diazonio-4-methoxycarbonyl-1-(4-methoxycarbonylphenyl)pyrrol-2-olate
SYSTEMATIC NAME: 3-diazonio-4-methoxycarbonyl-1-(4-methoxycarbonylphenyl)pyrrol-2-olate
MOLECULAR FORMULA: C14H11N3O5
MOLECULAR WEIGHT: 301.25424
SMILES: COC(=O)C1=CC=C(C=C1)N2C=C(C(=C2[O-])[N+]#N)C(=O)OC
Structure:
CAS RN: 254762-66-8
CAS Name: 2-amino-2-(2-bromophenyl)acetic acid
OPENEYE Name: 2-amino-2-(2-bromophenyl)acetic acid
IUPAC Name: 2-amino-2-(2-bromophenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(2-bromophenyl)ethanoic acid
MOLECULAR FORMULA: C8H8BrNO2
MOLECULAR WEIGHT: 230.05862
SMILES: C1=CC=C(C(=C1)C(C(=O)O)N)Br
Structure:
CAS RN: 3273-44-7
CAS Name: 5-methyl-1H-pyrazole-3-carboxaldehyde
OPENEYE Name: 5-methyl-1H-pyrazole-3-carbaldehyde
IUPAC Name: 5-methyl-1H-pyrazole-3-carbaldehyde
SYSTEMATIC NAME: 5-methyl-1H-pyrazole-3-carbaldehyde
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: CC1=CC(=NN1)C=O
Structure:
CAS RN: 78587-05-0
CAS Name: 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-3-thiazolidinecarboxamide
OPENEYE Name: 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-thiazolidine-3-carboxamide
IUPAC Name: 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide
SYSTEMATIC NAME: 5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxidanylidene-1,3-thiazolidine-3-carboxamide
MOLECULAR FORMULA: C17H21ClN2O2S
MOLECULAR WEIGHT: 352.87884
SMILES: CC1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 7504-35-0
CAS Name: [(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]urea
OPENEYE Name: [(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]urea
IUPAC Name: [(5-nitro-4-oxo-1H-pyrimidin-6-yl)amino]urea
SYSTEMATIC NAME: 1-[(5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)amino]urea
MOLECULAR FORMULA: C5H6N6O4
MOLECULAR WEIGHT: 214.13894
SMILES: C1=NC(=O)C(=C(N1)NNC(=O)N)[N+](=O)[O-]
Structure:
CAS RN: 4598-86-1
CAS Name: 1-methyl-4-nitro-3-pyrazolecarboxylate
OPENEYE Name: 1-methyl-4-nitro-pyrazole-3-carboxylate
IUPAC Name: 1-methyl-4-nitropyrazole-3-carboxylate
SYSTEMATIC NAME: 1-methyl-4-nitro-pyrazole-3-carboxylate
MOLECULAR FORMULA: C5H4N3O4-
MOLECULAR WEIGHT: 170.10296
SMILES: CN1C=C(C(=N1)C(=O)[O-])[N+](=O)[O-]
Structure:
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