Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 4-[(3-chlorophenyl)methyl]-2-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Name: 4-[(3-chlorophenyl)methyl]-2-methyl-7-oxo-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(3-chlorophenyl)methyl]-2-methyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-[(3-chlorophenyl)methyl]-2-methyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C17H16ClN3O3
MOLECULAR WEIGHT: 345.78024
SMILES: CCOC(=O)C1=CN(C2=CC(=NN2C1=O)C)CC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: methyl 4-phenoxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
CAS Name: 4-phenoxy-2-(trifluoromethyl)-7-thieno[3,4-b]pyridinecarboxylic acid methyl ester
IUPAC NAME: methyl 4-phenoxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
SYSTEMATIC NAME: methyl 4-phenoxy-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
MOLECULAR FORMULA: C16H10F3NO3S
MOLECULAR WEIGHT: 353.31571
SMILES: COC(=O)C1=C2C(=CS1)C(=CC(=N2)C(F)(F)F)OC3=CC=CC=C3
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Product OPENEYE NAME: 3-[4-methoxy-2-(trifluoromethyl)-6-quinolyl]prop-2-yn-1-ol
CAS Name: 3-[4-methoxy-2-(trifluoromethyl)-6-quinolinyl]-2-propyn-1-ol
IUPAC NAME: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-yn-1-ol
SYSTEMATIC NAME: 3-[4-methoxy-2-(trifluoromethyl)quinolin-6-yl]prop-2-yn-1-ol
MOLECULAR FORMULA: C14H10F3NO2
MOLECULAR WEIGHT: 281.22991
SMILES: COC1=CC(=NC2=C1C=C(C=C2)C#CCO)C(F)(F)F
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Product OPENEYE NAME: ethyl 4-benzyl-2-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Name: 2-methyl-7-oxo-4-(phenylmethyl)-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-benzyl-2-methyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-7-oxidanylidene-4-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C17H17N3O3
MOLECULAR WEIGHT: 311.33518
SMILES: CCOC(=O)C1=CN(C2=CC(=NN2C1=O)C)CC3=CC=CC=C3
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Product OPENEYE NAME: ethyl 4-[(2,4-dichlorophenyl)methyl]-2-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Name: 4-[(2,4-dichlorophenyl)methyl]-2-methyl-7-oxo-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(2,4-dichlorophenyl)methyl]-2-methyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-[(2,4-dichlorophenyl)methyl]-2-methyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C17H15Cl2N3O3
MOLECULAR WEIGHT: 380.2253
SMILES: CCOC(=O)C1=CN(C2=CC(=NN2C1=O)C)CC3=C(C=C(C=C3)Cl)Cl
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Product OPENEYE NAME: ethyl 4-[(4-fluorophenyl)methyl]-2-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CAS Name: 4-[(4-fluorophenyl)methyl]-2-methyl-7-oxo-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-[(4-fluorophenyl)methyl]-2-methyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
SYSTEMATIC NAME: ethyl 4-[(4-fluorophenyl)methyl]-2-methyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidine-6-carboxylate
MOLECULAR FORMULA: C17H16FN3O3
MOLECULAR WEIGHT: 329.325643
SMILES: CCOC(=O)C1=CN(C2=CC(=NN2C1=O)C)CC3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]urea
CAS Name: 1-(4-chlorophenyl)-3-[[2-[(2-methyl-1H-indol-3-yl)thio]-1-oxoethyl]amino]urea
IUPAC NAME: 1-(4-chlorophenyl)-3-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanoylamino]urea
MOLECULAR FORMULA: C18H17ClN4O2S
MOLECULAR WEIGHT: 388.87118
SMILES: CC1=C(C2=CC=CC=C2N1)SCC(=O)NNC(=O)NC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 1-(3-chlorophenyl)-3-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]urea
CAS Name: 1-(3-chlorophenyl)-3-[[2-[(2-methyl-1H-indol-3-yl)thio]-1-oxoethyl]amino]urea
IUPAC NAME: 1-(3-chlorophenyl)-3-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]urea
SYSTEMATIC NAME: 1-(3-chlorophenyl)-3-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanoylamino]urea
MOLECULAR FORMULA: C18H17ClN4O2S
MOLECULAR WEIGHT: 388.87118
SMILES: CC1=C(C2=CC=CC=C2N1)SCC(=O)NNC(=O)NC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 1-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
CAS Name: 1-[[2-[(2-methyl-1H-indol-3-yl)thio]-1-oxoethyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
IUPAC NAME: 1-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]urea
SYSTEMATIC NAME: 1-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanoylamino]-3-[4-(trifluoromethyloxy)phenyl]urea
MOLECULAR FORMULA: C19H17F3N4O3S
MOLECULAR WEIGHT: 438.42349
SMILES: CC1=C(C2=CC=CC=C2N1)SCC(=O)NNC(=O)NC3=CC=C(C=C3)OC(F)(F)F
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Product OPENEYE NAME: 1-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]-3-phenyl-urea
CAS Name: 1-[[2-[(2-methyl-1H-indol-3-yl)thio]-1-oxoethyl]amino]-3-phenylurea
IUPAC NAME: 1-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]-3-phenylurea
SYSTEMATIC NAME: 1-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-urea
MOLECULAR FORMULA: C18H18N4O2S
MOLECULAR WEIGHT: 354.42612
SMILES: CC1=C(C2=CC=CC=C2N1)SCC(=O)NNC(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: methyl 3-[[(E)-2-cyano-3-(ethoxycarbonylamino)-3-oxo-prop-1-enyl]amino]thiophene-2-carboxylate
CAS Name: 3-[[(E)-2-cyano-3-(ethoxycarbonylamino)-3-oxoprop-1-enyl]amino]-2-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 3-[[(E)-2-cyano-3-(ethoxycarbonylamino)-3-oxoprop-1-enyl]amino]thiophene-2-carboxylate
SYSTEMATIC NAME: methyl 3-[[(E)-2-cyano-3-(ethoxycarbonylamino)-3-oxidanylidene-prop-1-enyl]amino]thiophene-2-carboxylate
MOLECULAR FORMULA: C13H13N3O5S
MOLECULAR WEIGHT: 323.32442
SMILES: CCOC(=O)NC(=O)/C(=C/NC1=C(SC=C1)C(=O)OC)/C#N
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Product OPENEYE NAME: 1-methyl-3-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]thiourea
CAS Name: 1-methyl-3-[[2-[(2-methyl-1H-indol-3-yl)thio]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-methyl-3-[[2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetyl]amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethanoylamino]thiourea
MOLECULAR FORMULA: C13H16N4OS2
MOLECULAR WEIGHT: 308.42234
SMILES: CC1=C(C2=CC=CC=C2N1)SCC(=O)NNC(=S)NC
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Product OPENEYE NAME: 4-methyl-3-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-methyl-3-[[(2-methyl-1H-indol-3-yl)thio]methyl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-methyl-3-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-methyl-3-[(2-methyl-1H-indol-3-yl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H14N4S2
MOLECULAR WEIGHT: 290.40706
SMILES: CC1=C(C2=CC=CC=C2N1)SCC3=NNC(=S)N3C
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Product OPENEYE NAME: 2-[(4-chlorophenyl)sulfanylmethyl]quinuclidin-3-one
CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-1-azabicyclo[2.2.2]octan-3-one
IUPAC NAME: 2-[(4-chlorophenyl)sulfanylmethyl]-1-azabicyclo[2.2.2]octan-3-one
SYSTEMATIC NAME: 2-[(4-chlorophenyl)sulfanylmethyl]-1-azabicyclo[2.2.2]octan-3-one
MOLECULAR FORMULA: C14H16ClNOS
MOLECULAR WEIGHT: 281.80094
SMILES: C1CN2CCC1C(=O)C2CSC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: ethyl 4-oxo-2-(trifluoromethyl)-1H-quinoline-6-carboxylate
CAS Name: 4-oxo-2-(trifluoromethyl)-1H-quinoline-6-carboxylic acid ethyl ester
IUPAC NAME: ethyl 4-oxo-2-(trifluoromethyl)-1H-quinoline-6-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-2-(trifluoromethyl)-1H-quinoline-6-carboxylate
MOLECULAR FORMULA: C13H10F3NO3
MOLECULAR WEIGHT: 285.21861
SMILES: CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)C(F)(F)F
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Product OPENEYE NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(4-chlorophenyl)urea
CAS Name: 1-[[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]-3-(4-chlorophenyl)urea
IUPAC NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(4-chlorophenyl)urea
SYSTEMATIC NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-(4-chlorophenyl)urea
MOLECULAR FORMULA: C18H18ClF3N6O
MOLECULAR WEIGHT: 426.82333
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NNC(=O)NC3=CC=C(C=C3)Cl)C(F)(F)F
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Product OPENEYE NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-phenyl-urea
CAS Name: 1-[[2-tert-butyl-5-(trifluoromethyl)-7-pyrazolo[1,5-a]pyrimidinyl]amino]-3-phenylurea
IUPAC NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-phenylurea
SYSTEMATIC NAME: 1-[[2-tert-butyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-3-phenyl-urea
MOLECULAR FORMULA: C18H19F3N6O
MOLECULAR WEIGHT: 392.37827
SMILES: CC(C)(C)C1=NN2C(=C1)N=C(C=C2NNC(=O)NC3=CC=CC=C3)C(F)(F)F
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