Wednesday, February 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-[(3-chlorobenzoyl)amino]-3-[2-(dimethylamino)ethyl]thiourea
CAS Name: 1-[[(3-chlorophenyl)-oxomethyl]amino]-3-[2-(dimethylamino)ethyl]thiourea
IUPAC NAME: 1-[(3-chlorobenzoyl)amino]-3-[2-(dimethylamino)ethyl]thiourea
SYSTEMATIC NAME: 1-[(3-chlorophenyl)carbonylamino]-3-[2-(dimethylamino)ethyl]thiourea
MOLECULAR FORMULA: C12H17ClN4OS
MOLECULAR WEIGHT: 300.80758
SMILES: CN(C)CCNC(=S)NNC(=O)C1=CC(=CC=C1)Cl
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Product OPENEYE NAME: (2-oxo-2-tetralin-6-yl-ethyl) 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] ester
IUPAC NAME: [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H20O5
MOLECULAR WEIGHT: 376.4019
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=CC4=C(CCCC4)C=C3
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Product OPENEYE NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-propyl-acetamide
CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-propylacetamide
IUPAC NAME: N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-propylacetamide
SYSTEMATIC NAME: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-propyl-ethanamide
MOLECULAR FORMULA: C20H25N3O3S2
MOLECULAR WEIGHT: 419.5608
SMILES: CCCN([C@H]1CCS(=O)(=O)C1)C(=O)CSC2=NC(=CC(=N2)C)C3=CC=CC=C3
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Product OPENEYE NAME: 1-[(3-chlorobenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
CAS Name: 1-[[(3-chlorophenyl)-oxomethyl]amino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea
IUPAC NAME: 1-[(3-chlorobenzoyl)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-[(3-chlorophenyl)carbonylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea
MOLECULAR FORMULA: C15H22ClN4O2S+
MOLECULAR WEIGHT: 357.87878
SMILES: C1COCC[NH+]1CCCNC(=S)NNC(=O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 1-[(3-chlorobenzoyl)amino]-3-(3-morpholinopropyl)thiourea
CAS Name: 1-[[(3-chlorophenyl)-oxomethyl]amino]-3-[3-(4-morpholinyl)propyl]thiourea
IUPAC NAME: 1-[(3-chlorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
SYSTEMATIC NAME: 1-[(3-chlorophenyl)carbonylamino]-3-(3-morpholin-4-ylpropyl)thiourea
MOLECULAR FORMULA: C15H21ClN4O2S
MOLECULAR WEIGHT: 356.87084
SMILES: C1COCCN1CCCNC(=S)NNC(=O)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: (2S)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(2-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC=CC=C3OC
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Product OPENEYE NAME: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C20H15FO6
MOLECULAR WEIGHT: 370.327903
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC
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Product OPENEYE NAME: (2R)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(2-methoxyphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(2-methoxyphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC=CC=C3OC
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Product OPENEYE NAME: [(1S)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3-bromoanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2S)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H20BrNO4
MOLECULAR WEIGHT: 406.2704
SMILES: C[C@@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: [2-oxo-2-[[(1S)-1-(p-tolyl)propyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CC[C@@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2S)-N-(2-furylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(2-furanylmethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(furan-2-ylmethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(furan-2-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NCC3=CC=CO3
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Product OPENEYE NAME: [(1R)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C19H20BrNO4
MOLECULAR WEIGHT: 406.2704
SMILES: C[C@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)CCC2=CC=C(C=C2)OC
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Product OPENEYE NAME: 1-[(3-chlorobenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
CAS Name: 1-[[(3-chlorophenyl)-oxomethyl]amino]-3-[3-(methylthio)propyl]thiourea
IUPAC NAME: 1-[(3-chlorobenzoyl)amino]-3-(3-methylsulfanylpropyl)thiourea
SYSTEMATIC NAME: 1-[(3-chlorophenyl)carbonylamino]-3-(3-methylsulfanylpropyl)thiourea
MOLECULAR FORMULA: C12H16ClN3OS2
MOLECULAR WEIGHT: 317.85794
SMILES: CSCCCNC(=S)NNC(=O)C1=CC(=CC=C1)Cl
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Product OPENEYE NAME: [2-oxo-2-[[(1R)-1-(p-tolyl)propyl]amino]ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H23NO5
MOLECULAR WEIGHT: 393.43242
SMILES: CC[C@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2R)-N-(2-furylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(2-furanylmethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(furan-2-ylmethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(furan-2-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C19H19N3O2S
MOLECULAR WEIGHT: 353.43806
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NCC3=CC=CO3
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Product OPENEYE NAME: 1-[(3-chlorobenzoyl)amino]-3-(2-chloro-5-nitro-phenyl)thiourea
CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[(3-chlorophenyl)-oxomethyl]amino]thiourea
IUPAC NAME: 1-[(3-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
SYSTEMATIC NAME: 1-(2-chloranyl-5-nitro-phenyl)-3-[(3-chlorophenyl)carbonylamino]thiourea
MOLECULAR FORMULA: C14H10Cl2N4O3S
MOLECULAR WEIGHT: 385.2252
SMILES: C1=CC(=CC(=C1)Cl)C(=O)NNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: [(1R)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate
CAS Name: 3-(4-methoxyphenyl)propanoic acid [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-(4-methoxyphenyl)propanoate
SYSTEMATIC NAME: [(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methoxyphenyl)propanoate
MOLECULAR FORMULA: C21H25NO4
MOLECULAR WEIGHT: 355.4275
SMILES: CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)CCC2=CC=C(C=C2)OC)C
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