Friday, November 30, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl 4-[[4-amino-3-(o-tolyl)-2,6-dioxo-pyrimidin-1-yl]methyl]benzoate
CAS Name: 4-[[4-amino-3-(2-methylphenyl)-2,6-dioxo-1-pyrimidinyl]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[4-amino-3-(2-methylphenyl)-2,6-dioxopyrimidin-1-yl]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[4-azanyl-3-(2-methylphenyl)-2,6-bis(oxidanylidene)pyrimidin-1-yl]methyl]benzoate
MOLECULAR FORMULA: C20H19N3O4
MOLECULAR WEIGHT: 365.38256
SMILES: CC1=CC=CC=C1N2C(=CC(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)N
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Product OPENEYE NAME: 5-methylpyridine-3-carbohydrazide
CAS Name: 5-methyl-3-pyridinecarbohydrazide
IUPAC NAME: 5-methylpyridine-3-carbohydrazide
SYSTEMATIC NAME: 5-methylpyridine-3-carbohydrazide
MOLECULAR FORMULA: C7H9N3O
MOLECULAR WEIGHT: 151.16586
SMILES: CC1=CN=CC(=C1)C(=O)NN
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Product OPENEYE NAME: 5-bromo-1-(o-tolyl)-3-propyl-pyrimidine-2,4-dione
CAS Name: 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
IUPAC NAME: 5-bromo-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-bromanyl-1-(2-methylphenyl)-3-propyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H15BrN2O2
MOLECULAR WEIGHT: 323.1851
SMILES: CCCN1C(=O)C(=CN(C1=O)C2=CC=CC=C2C)Br
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Product OPENEYE NAME: 2-(2,3-dichlorophenyl)-5-(2-methyl-3-furyl)pyrazol-3-amine
CAS Name: 2-(2,3-dichlorophenyl)-5-(2-methyl-3-furanyl)-3-pyrazolamine
IUPAC NAME: 2-(2,3-dichlorophenyl)-5-(2-methylfuran-3-yl)pyrazol-3-amine
SYSTEMATIC NAME: 2-[2,3-bis(chloranyl)phenyl]-5-(2-methylfuran-3-yl)pyrazol-3-amine
MOLECULAR FORMULA: C14H11Cl2N3O
MOLECULAR WEIGHT: 308.16264
SMILES: CC1=C(C=CO1)C2=NN(C(=C2)N)C3=C(C(=CC=C3)Cl)Cl
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Product OPENEYE NAME: 4-[[3-(o-tolyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid
CAS Name: 4-[[3-(2-methylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid
IUPAC NAME: 4-[[3-(2-methylphenyl)-2,6-dioxo-7H-purin-1-yl]methyl]benzoic acid
SYSTEMATIC NAME: 4-[[3-(2-methylphenyl)-2,6-bis(oxidanylidene)-7H-purin-1-yl]methyl]benzoic acid
MOLECULAR FORMULA: C20H16N4O4
MOLECULAR WEIGHT: 376.36544
SMILES: CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)O)NC=N3
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Product OPENEYE NAME: 1-cyclopropyl-2,4-dioxo-3-propyl-pyrimidine-5-carbonitrile
CAS Name: 1-cyclopropyl-2,4-dioxo-3-propyl-5-pyrimidinecarbonitrile
IUPAC NAME: 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-cyclopropyl-2,4-bis(oxidanylidene)-3-propyl-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CCCN1C(=O)C(=CN(C1=O)C2CC2)C#N
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Product OPENEYE NAME: 3-benzyl-1-cyclopropyl-2,4-dioxo-pyrimidine-5-carbonitrile
CAS Name: 1-cyclopropyl-2,4-dioxo-3-(phenylmethyl)-5-pyrimidinecarbonitrile
IUPAC NAME: 3-benzyl-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-cyclopropyl-2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C15H13N3O2
MOLECULAR WEIGHT: 267.28262
SMILES: C1CC1N2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)C#N
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Product OPENEYE NAME: 1-cyclopropyl-2,4-dioxo-3-propyl-pyrimidine-5-carboxamide
CAS Name: 1-cyclopropyl-2,4-dioxo-3-propyl-5-pyrimidinecarboxamide
IUPAC NAME: 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide
SYSTEMATIC NAME: 1-cyclopropyl-2,4-bis(oxidanylidene)-3-propyl-pyrimidine-5-carboxamide
MOLECULAR FORMULA: C11H15N3O3
MOLECULAR WEIGHT: 237.2551
SMILES: CCCN1C(=O)C(=CN(C1=O)C2CC2)C(=O)N
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Product OPENEYE NAME: 4-phenyl-2-(phenylsulfanylmethyl)thiazole
CAS Name: 4-phenyl-2-[(phenylthio)methyl]thiazole
IUPAC NAME: 4-phenyl-2-(phenylsulfanylmethyl)-1,3-thiazole
SYSTEMATIC NAME: 4-phenyl-2-(phenylsulfanylmethyl)-1,3-thiazole
MOLECULAR FORMULA: C16H13NS2
MOLECULAR WEIGHT: 283.41112
SMILES: C1=CC=C(C=C1)C2=CSC(=N2)CSC3=CC=CC=C3
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Product OPENEYE NAME: 1-benzyl-3-(3-methoxy-2-methyl-phenyl)urea
CAS Name: 1-(3-methoxy-2-methylphenyl)-3-(phenylmethyl)urea
IUPAC NAME: 1-benzyl-3-(3-methoxy-2-methylphenyl)urea
SYSTEMATIC NAME: 1-(3-methoxy-2-methyl-phenyl)-3-(phenylmethyl)urea
MOLECULAR FORMULA: C16H18N2O2
MOLECULAR WEIGHT: 270.32632
SMILES: CC1=C(C=CC=C1OC)NC(=O)NCC2=CC=CC=C2
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Product OPENEYE NAME: 2-cyano-N-[(4-methoxyphenyl)carbamoyl]acetamide
CAS Name: 2-cyano-N-[(4-methoxyanilino)-oxomethyl]acetamide
IUPAC NAME: 2-cyano-N-[(4-methoxyphenyl)carbamoyl]acetamide
SYSTEMATIC NAME: 2-cyano-N-[(4-methoxyphenyl)carbamoyl]ethanamide
MOLECULAR FORMULA: C11H11N3O3
MOLECULAR WEIGHT: 233.22334
SMILES: COC1=CC=C(C=C1)NC(=O)NC(=O)CC#N
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Product OPENEYE NAME: 2-cyano-N-[(2,4-difluorophenyl)carbamoyl]acetamide
CAS Name: 2-cyano-N-[(2,4-difluoroanilino)-oxomethyl]acetamide
IUPAC NAME: 2-cyano-N-[(2,4-difluorophenyl)carbamoyl]acetamide
SYSTEMATIC NAME: N-[[2,4-bis(fluoranyl)phenyl]carbamoyl]-2-cyano-ethanamide
MOLECULAR FORMULA: C10H7F2N3O2
MOLECULAR WEIGHT: 239.178286
SMILES: C1=CC(=C(C=C1F)F)NC(=O)NC(=O)CC#N
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Product OPENEYE NAME: 5-hydroxy-1-(o-tolyl)-3-propyl-pyrimidine-2,4-dione
CAS Name: 5-hydroxy-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
IUPAC NAME: 5-hydroxy-1-(2-methylphenyl)-3-propylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(2-methylphenyl)-5-oxidanyl-3-propyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H16N2O3
MOLECULAR WEIGHT: 260.28844
SMILES: CCCN1C(=O)C(=CN(C1=O)C2=CC=CC=C2C)O
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Product OPENEYE NAME: 6-amino-1-(2,4-difluorophenyl)pyrimidine-2,4-dione
CAS Name: 6-amino-1-(2,4-difluorophenyl)pyrimidine-2,4-dione
IUPAC NAME: 6-amino-1-(2,4-difluorophenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-[2,4-bis(fluoranyl)phenyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H7F2N3O2
MOLECULAR WEIGHT: 239.178286
SMILES: C1=CC(=C(C=C1F)F)N2C(=CC(=O)NC2=O)N
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Product OPENEYE NAME: 6-amino-3-benzyl-1-(3-methoxy-2-methyl-phenyl)pyrimidine-2,4-dione
CAS Name: 6-amino-1-(3-methoxy-2-methylphenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
IUPAC NAME: 6-amino-3-benzyl-1-(3-methoxy-2-methylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-1-(3-methoxy-2-methyl-phenyl)-3-(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C19H19N3O3
MOLECULAR WEIGHT: 337.37246
SMILES: CC1=C(C=CC=C1OC)N2C(=CC(=O)N(C2=O)CC3=CC=CC=C3)N
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Product OPENEYE NAME: 1-benzyl-3-(3-methoxy-2-methyl-phenyl)-7H-purine-2,6-dione
CAS Name: 3-(3-methoxy-2-methylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
IUPAC NAME: 1-benzyl-3-(3-methoxy-2-methylphenyl)-7H-purine-2,6-dione
SYSTEMATIC NAME: 3-(3-methoxy-2-methyl-phenyl)-1-(phenylmethyl)-7H-purine-2,6-dione
MOLECULAR FORMULA: C20H18N4O3
MOLECULAR WEIGHT: 362.38192
SMILES: CC1=C(C=CC=C1OC)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3
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Product OPENEYE NAME: 2-[2-(4-benzylpiperazin-1-yl)ethyl]isoindoline-1,3-dione
CAS Name: 2-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]isoindole-1,3-dione
IUPAC NAME: 2-[2-(4-benzylpiperazin-1-yl)ethyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]isoindole-1,3-dione
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)CC4=CC=CC=C4
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Product OPENEYE NAME: 6-methyl-1-(o-tolyl)-3-propyl-furo[3,2-d]pyrimidine-2,4-dione
CAS Name: 6-methyl-1-(2-methylphenyl)-3-propylfuro[3,2-d]pyrimidine-2,4-dione
IUPAC NAME: 6-methyl-1-(2-methylphenyl)-3-propylfuro[3,2-d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-methyl-1-(2-methylphenyl)-3-propyl-furo[3,2-d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CCCN1C(=O)C2=C(C=C(O2)C)N(C1=O)C3=CC=CC=C3C
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Product OPENEYE NAME: 4,4-diphenylpiperidine
CAS Name: 4,4-diphenylpiperidine
IUPAC NAME: 4,4-diphenylpiperidine
SYSTEMATIC NAME: 4,4-diphenylpiperidine
MOLECULAR FORMULA: C17H19N
MOLECULAR WEIGHT: 237.33946
SMILES: C1CNCCC1(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CAS Name: N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]acetamide
IUPAC NAME: N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SYSTEMATIC NAME: N-[2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanamide
MOLECULAR FORMULA: C14H17F3N4O
MOLECULAR WEIGHT: 314.30619
SMILES: CC1=CC(=NC2=C(C(=NN12)C(C)(C)C)NC(=O)C)C(F)(F)F
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Product OPENEYE NAME: 1-(o-tolyl)pyrimidine-2,4-dione
CAS Name: 1-(2-methylphenyl)pyrimidine-2,4-dione
IUPAC NAME: 1-(2-methylphenyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(2-methylphenyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CC1=CC=CC=C1N2C=CC(=O)NC2=O
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Product OPENEYE NAME: 1-(1-isopropyl-4-piperidyl)benzotriazole
CAS Name: 1-(1-propan-2-yl-4-piperidinyl)benzotriazole
IUPAC NAME: 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole
SYSTEMATIC NAME: 1-(1-propan-2-ylpiperidin-4-yl)benzotriazole
MOLECULAR FORMULA: C14H20N4
MOLECULAR WEIGHT: 244.3354
SMILES: CC(C)N1CCC(CC1)N2C3=CC=CC=C3N=N2
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