Thursday, January 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [4-[[[2-(4-bromo-2-isopropyl-5-methyl-phenoxy)acetyl]hydrazono]methyl]phenyl] 2-fluorobenzoate
CAS Name: 2-fluorobenzoic acid [4-[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[[2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
SYSTEMATIC NAME: [4-[[2-(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)ethanoylhydrazinylidene]methyl]phenyl] 2-fluoranylbenzoate
MOLECULAR FORMULA: C26H24BrFN2O4
MOLECULAR WEIGHT: 527.382163
SMILES: CC1=CC(=C(C=C1Br)C(C)C)OCC(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: methyl 4-[[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazono]methyl]benzoate
CAS Name: 4-[[[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]hydrazinylidene]methyl]benzoic acid methyl ester
IUPAC NAME: methyl 4-[[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
SYSTEMATIC NAME: methyl 4-[[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbonylhydrazinylidene]methyl]benzoate
MOLECULAR FORMULA: C20H18N4O4
MOLECULAR WEIGHT: 378.38132
SMILES: COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)NN=CC3=CC=C(C=C3)C(=O)OC
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Product OPENEYE NAME: ethyl 2-[4-[hydroxy(p-tolyl)methylene]-2,3-dioxo-5-(4-propoxyphenyl)pyrrolidin-1-yl]-4-methyl-thiazole-5-carboxylate
CAS Name: 2-[4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(4-propoxyphenyl)-1-pyrrolidinyl]-4-methyl-5-thiazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2-[4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(4-propoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
SYSTEMATIC NAME: ethyl 4-methyl-2-[4-[(4-methylphenyl)-oxidanyl-methylidene]-2,3-bis(oxidanylidene)-5-(4-propoxyphenyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
MOLECULAR FORMULA: C28H28N2O6S
MOLECULAR WEIGHT: 520.59672
SMILES: CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)O)C(=O)C(=O)N2C4=NC(=C(S4)C(=O)OCC)C
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Product OPENEYE NAME: 4-hydroxy-N-[[1-methyl-2-(3-nitro-1,2,4-triazol-1-yl)ethylidene]amino]benzamide
CAS Name: 4-hydroxy-N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide
IUPAC NAME: 4-hydroxy-N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]benzamide
SYSTEMATIC NAME: N-[1-(3-nitro-1,2,4-triazol-1-yl)propan-2-ylideneamino]-4-oxidanyl-benzamide
MOLECULAR FORMULA: C12H12N6O4
MOLECULAR WEIGHT: 304.26148
SMILES: CC(=NNC(=O)C1=CC=C(C=C1)O)CN2C=NC(=N2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-(4-bromophenyl)-6-(3-nitrophenyl)-2-phenyl-3,5-dihydro-1,2,4-triazine
CAS Name: 4-(4-bromophenyl)-6-(3-nitrophenyl)-2-phenyl-3,5-dihydro-1,2,4-triazine
IUPAC NAME: 4-(4-bromophenyl)-6-(3-nitrophenyl)-2-phenyl-3,5-dihydro-1,2,4-triazine
SYSTEMATIC NAME: 4-(4-bromophenyl)-6-(3-nitrophenyl)-2-phenyl-3,5-dihydro-1,2,4-triazine
MOLECULAR FORMULA: C21H17BrN4O2
MOLECULAR WEIGHT: 437.28928
SMILES: C1C(=NN(CN1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(9-anthrylmethyleneamino)-3-cyclohexyl-thiourea
CAS Name: 1-(9-anthracenylmethylideneamino)-3-cyclohexylthiourea
IUPAC NAME: 1-(anthracen-9-ylmethylideneamino)-3-cyclohexylthiourea
SYSTEMATIC NAME: 1-(anthracen-9-ylmethylideneamino)-3-cyclohexyl-thiourea
MOLECULAR FORMULA: C22H23N3S
MOLECULAR WEIGHT: 361.50312
SMILES: C1CCC(CC1)NC(=S)NN=CC2=C3C=CC=CC3=CC4=CC=CC=C42
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Product OPENEYE NAME: ethyl 3-benzyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-5-methyl-4-oxo-3-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-benzyl-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-4-oxidanylidene-3-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C28H27N3O4S2
MOLECULAR WEIGHT: 533.66168
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CC3=CC=CC=C3)SCC(=O)N4CCCC5=CC=CC=C54)C
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Product OPENEYE NAME: ethyl 3-[(3,4-dichlorophenyl)methyl]-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 3-[(3,4-dichlorophenyl)methyl]-2-[(2-ethoxy-2-oxoethyl)thio]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-[(3,4-dichlorophenyl)methyl]-2-(2-ethoxy-2-oxoethyl)sulfanyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 3-[(3,4-dichlorophenyl)methyl]-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C21H20Cl2N2O5S2
MOLECULAR WEIGHT: 515.4299
SMILES: CCOC(=O)CSC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1CC3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 3-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate
CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-5-methyl-2-[(3-nitrophenyl)methylthio]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 3-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C25H27N3O5S2
MOLECULAR WEIGHT: 513.62898
SMILES: CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)CCC3=CCCCC3)SCC4=CC(=CC=C4)[N+](=O)[O-])C
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Product OPENEYE NAME: 4-(diethylsulfamoyl)-N-[4-(3-hydroxy-1-adamantyl)phenyl]benzamide
CAS Name: 4-(diethylsulfamoyl)-N-[4-(3-hydroxy-1-adamantyl)phenyl]benzamide
IUPAC NAME: 4-(diethylsulfamoyl)-N-[4-(3-hydroxy-1-adamantyl)phenyl]benzamide
SYSTEMATIC NAME: 4-(diethylsulfamoyl)-N-[4-(3-oxidanyl-1-adamantyl)phenyl]benzamide
MOLECULAR FORMULA: C27H34N2O4S
MOLECULAR WEIGHT: 482.63486
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)(C4)O
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Product OPENEYE NAME: 2,4-dichloro-N-[2-(2-cyanoethyl)-4-[(4-iodoanilino)-morpholino-phosphoryl]-5-methyl-pyrazol-3-yl]benzamide
CAS Name: 2,4-dichloro-N-[2-(2-cyanoethyl)-4-[(4-iodoanilino)-(4-morpholinyl)phosphoryl]-5-methyl-3-pyrazolyl]benzamide
IUPAC NAME: 2,4-dichloro-N-[2-(2-cyanoethyl)-4-[(4-iodoanilino)-morpholin-4-ylphosphoryl]-5-methylpyrazol-3-yl]benzamide
SYSTEMATIC NAME: 2,4-bis(chloranyl)-N-[2-(2-cyanoethyl)-4-[[(4-iodophenyl)amino]-morpholin-4-yl-phosphoryl]-5-methyl-pyrazol-3-yl]benzamide
MOLECULAR FORMULA: C24H24Cl2IN6O3P
MOLECULAR WEIGHT: 673.269991
SMILES: CC1=NN(C(=C1P(=O)(NC2=CC=C(C=C2)I)N3CCOCC3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)CCC#N
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Product OPENEYE NAME: 2-azido-4,6-diphenyl-pyrimidine
CAS Name: 2-azido-4,6-diphenylpyrimidine
IUPAC NAME: 2-azido-4,6-diphenylpyrimidine
SYSTEMATIC NAME: 2-azido-4,6-diphenyl-pyrimidine
MOLECULAR FORMULA: C16H11N5
MOLECULAR WEIGHT: 273.29204
SMILES: C1=CC=C(C=C1)C2=CC(=NC(=N2)N=[N+]=[N-])C3=CC=CC=C3
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Product OPENEYE NAME: tert-butyl-(2-fluorophenoxy)-(2-nitrophenyl)imino-(2-propylindazol-3-yl)-$l^{5}-phosphane
CAS Name: tert-butyl-(2-fluorophenoxy)-(2-nitrophenyl)imino-(2-propyl-3-indazolyl)phosphorane
IUPAC NAME: tert-butyl-(2-fluorophenoxy)-(2-nitrophenyl)imino-(2-propylindazol-3-yl)-$l^{5}-phosphane
SYSTEMATIC NAME: tert-butyl-(2-fluoranylphenoxy)-(2-nitrophenyl)imino-(2-propylindazol-3-yl)-$l^{5}-phosphane
MOLECULAR FORMULA: C26H28FN4O3P
MOLECULAR WEIGHT: 494.497684
SMILES: CCCN1C(=C2C=CC=CC2=N1)P(=NC3=CC=CC=C3[N+](=O)[O-])(C(C)(C)C)OC4=CC=CC=C4F
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