Monday, January 23, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
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MOLECULAR FORMULA: C41H31BrO2S2
MOLECULAR WEIGHT: 699.71764
SMILES: C1C2=CC=C(C=C2)C3=C(C(=CC=C3)C4=CC=C(CSCC5=CC=C(C=C5)C6=CC=CC(=C6Br)C7=CC=C(CS1)C=C7)C=C4)C(=O)O
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MOLECULAR FORMULA: C17H11F5O
MOLECULAR WEIGHT: 326.260656
SMILES: C1C2C3C4C1C5C2C6C3C4C5(O6)C7=C(C(=C(C(=C7F)F)F)F)F
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Product OPENEYE NAME: 2-amino-5-phenyl-1H-pyrimidin-6-one
CAS Name: 2-amino-5-phenyl-1H-pyrimidin-6-one
IUPAC NAME: 2-amino-5-phenyl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-5-phenyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C10H9N3O
MOLECULAR WEIGHT: 187.19796
SMILES: C1=CC=C(C=C1)C2=CN=C(NC2=O)N
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Product OPENEYE NAME: 2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]-1-(p-tolyl)ethanone
CAS Name: 1-(4-methylphenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]ethanone
IUPAC NAME: 1-(4-methylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone
SYSTEMATIC NAME: 1-(4-methylphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone
MOLECULAR FORMULA: C21H19N2O3+
MOLECULAR WEIGHT: 347.38716
SMILES: CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 4-ethyl-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]piperazine-1-carbothioamide
CAS Name: 4-ethyl-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolinyl]-1-piperazinecarbothioamide
IUPAC NAME: 4-ethyl-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
SYSTEMATIC NAME: 4-ethyl-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperazine-1-carbothioamide
MOLECULAR FORMULA: C22H32N6S
MOLECULAR WEIGHT: 412.59468
SMILES: CCN1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCN(CC4)C
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Product OPENEYE NAME: 9-chloro-1,2,4-trimethyl-chromeno[3,4-c]pyridin-5-one
CAS Name: 9-chloro-1,2,4-trimethyl-5-[1]benzopyrano[3,4-c]pyridinone
IUPAC NAME: 9-chloro-1,2,4-trimethylchromeno[3,4-c]pyridin-5-one
SYSTEMATIC NAME: 9-chloranyl-1,2,4-trimethyl-chromeno[3,4-c]pyridin-5-one
MOLECULAR FORMULA: C15H12ClNO2
MOLECULAR WEIGHT: 273.71428
SMILES: CC1=C(N=C(C2=C1C3=C(C=CC(=C3)Cl)OC2=O)C)C
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Product OPENEYE NAME: 1-benzyl-3-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]thiourea
CAS Name: 1-[[3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-(phenylmethyl)thiourea
IUPAC NAME: 1-benzyl-3-[3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoylamino]thiourea
SYSTEMATIC NAME: 1-[3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoylamino]-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C16H20N6O3S
MOLECULAR WEIGHT: 376.4334
SMILES: CC1=C(C(=NN1CCC(=O)NNC(=S)NCC2=CC=CC=C2)C)[N+](=O)[O-]
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Product OPENEYE NAME: N-(3-carbamoyl-5-isopropyl-2-thienyl)-4-iodo-2-methyl-pyrazole-3-carboxamide
CAS Name: N-(3-carbamoyl-5-propan-2-yl-2-thiophenyl)-4-iodo-2-methyl-3-pyrazolecarboxamide
IUPAC NAME: N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-4-iodo-2-methylpyrazole-3-carboxamide
SYSTEMATIC NAME: N-(3-aminocarbonyl-5-propan-2-yl-thiophen-2-yl)-4-iodanyl-2-methyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C13H15IN4O2S
MOLECULAR WEIGHT: 418.25327
SMILES: CC(C)C1=CC(=C(S1)NC(=O)C2=C(C=NN2C)I)C(=O)N
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Product OPENEYE NAME: 4-bromo-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethyl-pyrazole-3-carboxamide
CAS Name: 4-bromo-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]-4-pyrazolyl]-1,5-dimethyl-3-pyrazolecarboxamide
IUPAC NAME: 4-bromo-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-3-carboxamide
SYSTEMATIC NAME: 4-bromanyl-N-[3,5-dimethyl-1-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methyl]pyrazol-4-yl]-1,5-dimethyl-pyrazole-3-carboxamide
MOLECULAR FORMULA: C18H15BrF5N5O
MOLECULAR WEIGHT: 492.240616
SMILES: CC1=C(C(=NN1CC2=C(C(=C(C(=C2F)F)F)F)F)C)NC(=O)C3=NN(C(=C3Br)C)C
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Product OPENEYE NAME: 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide
CAS Name: 3-[(2-fluorophenyl)methylsulfonyl]-N-[3-(1-piperidin-1-iumyl)propyl]propanamide
IUPAC NAME: 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide
SYSTEMATIC NAME: 3-[(2-fluorophenyl)methylsulfonyl]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide
MOLECULAR FORMULA: C18H28FN2O3S+
MOLECULAR WEIGHT: 371.489923
SMILES: C1CC[NH+](CC1)CCCNC(=O)CCS(=O)(=O)CC2=CC=CC=C2F
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Product OPENEYE NAME: N-butyl-3-(o-tolylmethylsulfonyl)propanamide
CAS Name: N-butyl-3-[(2-methylphenyl)methylsulfonyl]propanamide
IUPAC NAME: N-butyl-3-[(2-methylphenyl)methylsulfonyl]propanamide
SYSTEMATIC NAME: N-butyl-3-[(2-methylphenyl)methylsulfonyl]propanamide
MOLECULAR FORMULA: C15H23NO3S
MOLECULAR WEIGHT: 297.41302
SMILES: CCCCNC(=O)CCS(=O)(=O)CC1=CC=CC=C1C
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Product OPENEYE NAME: N-isopropyl-3-(o-tolylmethylsulfonyl)propanamide
CAS Name: 3-[(2-methylphenyl)methylsulfonyl]-N-propan-2-ylpropanamide
IUPAC NAME: 3-[(2-methylphenyl)methylsulfonyl]-N-propan-2-ylpropanamide
SYSTEMATIC NAME: 3-[(2-methylphenyl)methylsulfonyl]-N-propan-2-yl-propanamide
MOLECULAR FORMULA: C14H21NO3S
MOLECULAR WEIGHT: 283.38644
SMILES: CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NC(C)C
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Product OPENEYE NAME: 3-[(2-chlorophenyl)methylsulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CAS Name: 3-[(2-chlorophenyl)methylsulfonyl]-1-(4-phenyl-1-piperazinyl)-1-propanone
IUPAC NAME: 3-[(2-chlorophenyl)methylsulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SYSTEMATIC NAME: 3-[(2-chlorophenyl)methylsulfonyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
MOLECULAR FORMULA: C20H23ClN2O3S
MOLECULAR WEIGHT: 406.92622
SMILES: C1CN(CCN1C2=CC=CC=C2)C(=O)CCS(=O)(=O)CC3=CC=CC=C3Cl
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Product OPENEYE NAME: 2-[3-[(2-chlorophenyl)methylsulfonyl]propanoylamino]ethyl-dimethyl-ammonium
CAS Name: 2-[[3-[(2-chlorophenyl)methylsulfonyl]-1-oxopropyl]amino]ethyl-dimethylammonium
IUPAC NAME: 2-[3-[(2-chlorophenyl)methylsulfonyl]propanoylamino]ethyl-dimethylazanium
SYSTEMATIC NAME: 2-[3-[(2-chlorophenyl)methylsulfonyl]propanoylamino]ethyl-dimethyl-azanium
MOLECULAR FORMULA: C14H22ClN2O3S+
MOLECULAR WEIGHT: 333.85408
SMILES: C[NH+](C)CCNC(=O)CCS(=O)(=O)CC1=CC=CC=C1Cl
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Product OPENEYE NAME: 3-[(2-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
CAS Name: 3-[(2-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
IUPAC NAME: 3-[(2-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
SYSTEMATIC NAME: 3-[(2-chlorophenyl)methylsulfonyl]-N-[2-(dimethylamino)ethyl]propanamide
MOLECULAR FORMULA: C14H21ClN2O3S
MOLECULAR WEIGHT: 332.84614
SMILES: CN(C)CCNC(=O)CCS(=O)(=O)CC1=CC=CC=C1Cl
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Product OPENEYE NAME: N-[1-(4-butoxyphenyl)ethyl]-3-[(2-chlorophenyl)methylsulfonyl]propanamide
CAS Name: N-[1-(4-butoxyphenyl)ethyl]-3-[(2-chlorophenyl)methylsulfonyl]propanamide
IUPAC NAME: N-[1-(4-butoxyphenyl)ethyl]-3-[(2-chlorophenyl)methylsulfonyl]propanamide
SYSTEMATIC NAME: N-[1-(4-butoxyphenyl)ethyl]-3-[(2-chlorophenyl)methylsulfonyl]propanamide
MOLECULAR FORMULA: C22H28ClNO4S
MOLECULAR WEIGHT: 437.98002
SMILES: CCCCOC1=CC=C(C=C1)C(C)NC(=O)CCS(=O)(=O)CC2=CC=CC=C2Cl
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Product OPENEYE NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide
CAS Name: 3-[(4-chlorophenyl)methylsulfonyl]-N-[3-(4-morpholin-4-iumyl)propyl]propanamide
IUPAC NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide
SYSTEMATIC NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide
MOLECULAR FORMULA: C17H26ClN2O4S+
MOLECULAR WEIGHT: 389.91734
SMILES: C1COCC[NH+]1CCCNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholinopropyl)propanamide
CAS Name: 3-[(4-chlorophenyl)methylsulfonyl]-N-[3-(4-morpholinyl)propyl]propanamide
IUPAC NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide
SYSTEMATIC NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-morpholin-4-ylpropyl)propanamide
MOLECULAR FORMULA: C17H25ClN2O4S
MOLECULAR WEIGHT: 388.9094
SMILES: C1COCCN1CCCNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-pyridylmethyl)propanamide
CAS Name: 3-[(4-chlorophenyl)methylsulfonyl]-N-(3-pyridinylmethyl)propanamide
IUPAC NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
SYSTEMATIC NAME: 3-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
MOLECULAR FORMULA: C16H17ClN2O3S
MOLECULAR WEIGHT: 352.83578
SMILES: C1=CC(=CN=C1)CNC(=O)CCS(=O)(=O)CC2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 3-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]-N-(2-furylmethyl)propanamide
CAS Name: 3-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-(2-furanylmethyl)propanamide
IUPAC NAME: 3-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide
SYSTEMATIC NAME: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]-N-(furan-2-ylmethyl)propanamide
MOLECULAR FORMULA: C15H15ClFNO4S
MOLECULAR WEIGHT: 359.800303
SMILES: C1=COC(=C1)CNC(=O)CCS(=O)(=O)CC2=C(C=C(C=C2)F)Cl
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Product OPENEYE NAME: 3-[(2-chloro-4-fluoro-phenyl)methylsulfonyl]-N-(3-methoxypropyl)propanamide
CAS Name: 3-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-(3-methoxypropyl)propanamide
IUPAC NAME: 3-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-(3-methoxypropyl)propanamide
SYSTEMATIC NAME: 3-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfonyl]-N-(3-methoxypropyl)propanamide
MOLECULAR FORMULA: C14H19ClFNO4S
MOLECULAR WEIGHT: 351.821363
SMILES: COCCCNC(=O)CCS(=O)(=O)CC1=C(C=C(C=C1)F)Cl
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Product OPENEYE NAME: 2-[[4-[[2-(3,5-dimethylanilino)-4-oxo-thiazol-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzonitrile
CAS Name: 2-[[4-[[2-(3,5-dimethylanilino)-4-oxo-5-thiazolylidene]methyl]-2-methoxyphenoxy]methyl]benzonitrile
IUPAC NAME: 2-[[4-[[2-(3,5-dimethylanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-methoxyphenoxy]methyl]benzonitrile
SYSTEMATIC NAME: 2-[[4-[[2-[(3,5-dimethylphenyl)amino]-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]-2-methoxy-phenoxy]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C27H23N3O3S
MOLECULAR WEIGHT: 469.55482
SMILES: CC1=CC(=CC(=C1)NC2=NC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4C#N)OC)S2)C
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Product OPENEYE NAME: 5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]-3-[(4-nitrophenyl)methyl]thiazolidine-2,4-dione
CAS Name: 5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-nitrophenyl)methyl]thiazolidine-2,4-dione
IUPAC NAME: 5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C24H17ClN2O5S
MOLECULAR WEIGHT: 480.92018
SMILES: C1=CC=C(C(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-])OCC4=CC=C(C=C4)Cl
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Product OPENEYE NAME: methyl 2-[5-amino-8-(benzylcarbamoyl)-7-(2-chlorophenyl)-6-cyano-3-oxo-7H-thiazolo[3,2-a]pyridin-2-ylidene]acetate
CAS Name: 2-[5-amino-7-(2-chlorophenyl)-6-cyano-3-oxo-8-[oxo-[(phenylmethyl)amino]methyl]-7H-thiazolo[3,2-a]pyridin-2-ylidene]acetic acid methyl ester
IUPAC NAME: methyl 2-[5-amino-8-(benzylcarbamoyl)-7-(2-chlorophenyl)-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]acetate
SYSTEMATIC NAME: methyl 2-[5-azanyl-7-(2-chlorophenyl)-6-cyano-3-oxidanylidene-8-[(phenylmethyl)carbamoyl]-7H-[1,3]thiazolo[3,2-a]pyridin-2-ylidene]ethanoate
MOLECULAR FORMULA: C25H19ClN4O4S
MOLECULAR WEIGHT: 506.96076
SMILES: COC(=O)C=C1C(=O)N2C(=C(C(C(=C2S1)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4Cl)C#N)N
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