Wednesday, March 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-benzyl-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-3-(phenylmethyl)thiourea
IUPAC NAME: 1-benzyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C21H18N4OS2
MOLECULAR WEIGHT: 406.52382
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCC3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: [(1S)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(p-tolylsulfanyl)propanoate
CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2S)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
SYSTEMATIC NAME: [(2S)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
MOLECULAR FORMULA: C19H25N3O3S
MOLECULAR WEIGHT: 375.4851
SMILES: CC1=CC=C(C=C1)SCCC(=O)O[C@@H](C)C(=O)NC2=C(N(N=C2C)C)C
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Product OPENEYE NAME: [2-[2-[(1R)-1-methylpropyl]anilino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[2-[(2R)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: CC[C@@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C18H26N3O4+
MOLECULAR WEIGHT: 348.41674
SMILES: CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C18H25N3O4
MOLECULAR WEIGHT: 347.4088
SMILES: CC1=CC(=C(C=C1)NC(=O)NC(=O)CN2CCC(CC2)C(=O)OC)C
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Product OPENEYE NAME: [(1R)-1-methyl-2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(p-tolylsulfanyl)propanoate
CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2R)-1-oxo-1-[(1,3,5-trimethyl-4-pyrazolyl)amino]propan-2-yl] ester
IUPAC NAME: [(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
SYSTEMATIC NAME: [(2R)-1-oxidanylidene-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
MOLECULAR FORMULA: C19H25N3O3S
MOLECULAR WEIGHT: 375.4851
SMILES: CC1=CC=C(C=C1)SCCC(=O)O[C@H](C)C(=O)NC2=C(N(N=C2C)C)C
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Product OPENEYE NAME: 1-cyclohexyl-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-cyclohexyl-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-cyclohexyl-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-cyclohexyl-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C20H22N4OS2
MOLECULAR WEIGHT: 398.54488
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NC3CCCCC3)C4=CC=CC=C4
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Product OPENEYE NAME: methyl 1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C20H30N3O6+
MOLECULAR WEIGHT: 408.4687
SMILES: CCOC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCC(CC2)C(=O)OC)OCC
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Product OPENEYE NAME: methyl 1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[(3,4-diethoxyanilino)-oxomethyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[(3,4-diethoxyphenyl)carbamoylamino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H29N3O6
MOLECULAR WEIGHT: 407.46076
SMILES: CCOC1=C(C=C(C=C1)NC(=O)NC(=O)CN2CCC(CC2)C(=O)OC)OCC
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Product OPENEYE NAME: 1-(2-methoxyethyl)-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-(2-methoxyethyl)-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-(2-methoxyethyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-(2-methoxyethyl)-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C17H18N4O2S2
MOLECULAR WEIGHT: 374.48042
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCCOC)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[2-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 2H-chromene-3-carboxylate
CAS Name: 2H-1-benzopyran-3-carboxylic acid [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] ester
IUPAC NAME: [2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2H-chromene-3-carboxylate
SYSTEMATIC NAME: [2-[[2-[(2S)-butan-2-yl]phenyl]amino]-2-oxidanylidene-ethyl] 2H-chromene-3-carboxylate
MOLECULAR FORMULA: C22H23NO4
MOLECULAR WEIGHT: 365.42232
SMILES: CC[C@H](C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3OC2
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Product OPENEYE NAME: methyl 1-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate
CAS Name: 1-[2-[[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C19H24ClN4O3+
MOLECULAR WEIGHT: 391.87186
SMILES: CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl 1-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl]piperidine-4-carboxylate
CAS Name: 1-[2-[[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C19H23ClN4O3
MOLECULAR WEIGHT: 390.86392
SMILES: CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: 1-(2-methylallyl)-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)-3-(2-methylprop-2-enyl)thiourea
IUPAC NAME: 1-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-3-(2-methylprop-2-enyl)thiourea
SYSTEMATIC NAME: 1-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)-3-(2-methylprop-2-enyl)thiourea
MOLECULAR FORMULA: C18H18N4OS2
MOLECULAR WEIGHT: 370.49172
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NCC(=C)C)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate
CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
SYSTEMATIC NAME: [(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate
MOLECULAR FORMULA: C21H25NO4S
MOLECULAR WEIGHT: 387.4925
SMILES: CC1=CC=C(C=C1)SCCC(=O)O[C@@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C
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Product OPENEYE NAME: 1-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
CAS Name: 1-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)thiourea
IUPAC NAME: 1-(2-fluorophenyl)-3-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)thiourea
SYSTEMATIC NAME: 1-(2-fluorophenyl)-3-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)thiourea
MOLECULAR FORMULA: C20H15FN4OS2
MOLECULAR WEIGHT: 410.487703
SMILES: CC1=C(C2=C(S1)N=CN(C2=O)NC(=S)NC3=CC=CC=C3F)C4=CC=CC=C4
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