Sunday, December 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[3-fluoro-4-(4-isobutylpiperazin-1-yl)phenyl]-2-oxo-acetamide
CAS Name: 2-(1,5-dimethyl-3-phenyl-2-pyrrolyl)-N-[3-fluoro-4-[4-(2-methylpropyl)-1-piperazinyl]phenyl]-2-oxoacetamide
IUPAC NAME: 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-fluoro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-oxoacetamide
SYSTEMATIC NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[3-fluoranyl-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C28H33FN4O2
MOLECULAR WEIGHT: 476.585623
SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)CC(C)C)F)C4=CC=CC=C4
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Product OPENEYE NAME: N-(2-fluoro-4-morpholino-phenyl)-2-[1-(2-methoxyethyl)-5-methyl-3-phenyl-pyrrol-2-yl]-2-oxo-acetamide
CAS Name: N-[2-fluoro-4-(4-morpholinyl)phenyl]-2-[1-(2-methoxyethyl)-5-methyl-3-phenyl-2-pyrrolyl]-2-oxoacetamide
IUPAC NAME: N-(2-fluoro-4-morpholin-4-ylphenyl)-2-[1-(2-methoxyethyl)-5-methyl-3-phenylpyrrol-2-yl]-2-oxoacetamide
SYSTEMATIC NAME: N-(2-fluoranyl-4-morpholin-4-yl-phenyl)-2-[1-(2-methoxyethyl)-5-methyl-3-phenyl-pyrrol-2-yl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C26H28FN3O4
MOLECULAR WEIGHT: 465.516623
SMILES: CC1=CC(=C(N1CCOC)C(=O)C(=O)NC2=C(C=C(C=C2)N3CCOCC3)F)C4=CC=CC=C4
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Product OPENEYE NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[3-fluoro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]-2-oxo-acetamide
CAS Name: 2-(1,5-dimethyl-3-phenyl-2-pyrrolyl)-N-[3-fluoro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-2-oxoacetamide
IUPAC NAME: 2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[3-fluoro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxoacetamide
SYSTEMATIC NAME: 2-(1,5-dimethyl-3-phenyl-pyrrol-2-yl)-N-[3-fluoranyl-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-2-oxidanylidene-ethanamide
MOLECULAR FORMULA: C29H28FN5O2
MOLECULAR WEIGHT: 497.563323
SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)F)C5=CC=CC=C5
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclobutylmethoxy)-3-methoxy-phenyl]vinyl]-6-[4-(trifluoromethyl)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclobutylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclobutylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclobutylmethoxy)-3-methoxy-phenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C27H23F3N2O3S
MOLECULAR WEIGHT: 512.54333
SMILES: COC1=CC=CC(=C1OCC2CCC2)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)C(F)(F)F
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopentoxy)-3-methoxy-phenyl]vinyl]-6-[4-(trifluoromethyl)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-6-[4-(trifluoromethyl)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-(2-cyclopentyloxy-3-methoxy-phenyl)ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C27H23F3N2O3S
MOLECULAR WEIGHT: 512.54333
SMILES: COC1=CC=CC(=C1OC2CCCC2)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)C(F)(F)F
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Product OPENEYE NAME: 7-[(E)-2-[3-methoxy-2-(2-pyridylmethoxy)phenyl]vinyl]-6-[4-(trifluoromethyl)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[3-methoxy-2-(2-pyridinylmethoxy)phenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[3-methoxy-2-(pyridin-2-ylmethoxy)phenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C28H20F3N3O3S
MOLECULAR WEIGHT: 535.53691
SMILES: COC1=CC=CC(=C1OCC2=CC=CC=N2)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)C(F)(F)F
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Product OPENEYE NAME: 7-[(E)-2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]vinyl]-6-[4-(trifluoromethyl)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[3-(cyclopropylmethoxy)-4-methoxy-phenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C26H21F3N2O3S
MOLECULAR WEIGHT: 498.51675
SMILES: COC1=C(C=C(C=C1)/C=C/C2=C(C(=O)N3C=CSC3=N2)C4=CC=C(C=C4)C(F)(F)F)OCC5CC5
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Product OPENEYE NAME: 7-[(E)-2-[4-(cyclopropylmethoxy)-3-methoxy-phenyl]vinyl]-6-[4-(trifluoromethyl)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[4-(cyclopropylmethoxy)-3-methoxy-phenyl]ethenyl]-6-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C26H21F3N2O3S
MOLECULAR WEIGHT: 498.51675
SMILES: COC1=C(C=CC(=C1)/C=C/C2=C(C(=O)N3C=CSC3=N2)C4=CC=C(C=C4)C(F)(F)F)OCC5CC5
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Product OPENEYE NAME: N-[[(4,6-dimethylquinazolin-2-yl)amino]-(propanoylamino)methyl]propanamide
CAS Name: N-[[(4,6-dimethyl-2-quinazolinyl)amino]-(1-oxopropylamino)methyl]propanamide
IUPAC NAME: N-[[(4,6-dimethylquinazolin-2-yl)amino]-(propanoylamino)methyl]propanamide
SYSTEMATIC NAME: N-[[(4,6-dimethylquinazolin-2-yl)amino]-(propanoylamino)methyl]propanamide
MOLECULAR FORMULA: C17H23N5O2
MOLECULAR WEIGHT: 329.39682
SMILES: CCC(=O)NC(NC1=NC2=C(C=C(C=C2)C)C(=N1)C)NC(=O)CC
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Product OPENEYE NAME: 3-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-fluoro-pyrimidin-4-yl]piperazin-1-yl]-3-oxo-propanenitrile
CAS Name: 3-[4-[2-[4-(4-acetyl-1-piperazinyl)anilino]-5-fluoro-4-pyrimidinyl]-1-piperazinyl]-3-oxopropanenitrile
IUPAC NAME: 3-[4-[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]piperazin-1-yl]-3-oxopropanenitrile
SYSTEMATIC NAME: 3-[4-[2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-5-fluoranyl-pyrimidin-4-yl]piperazin-1-yl]-3-oxidanylidene-propanenitrile
MOLECULAR FORMULA: C23H27FN8O2
MOLECULAR WEIGHT: 466.511283
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N4CCN(CC4)C(=O)CC#N)F
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Product OPENEYE NAME: 6-[[4-[4-(aminomethyl)-1-piperidyl]-5-(4-pyridyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CAS Name: 6-[[4-[4-(aminomethyl)-1-piperidinyl]-5-pyridin-4-yl-2-pyrimidinyl]amino]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-pyridin-4-ylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-pyridin-4-yl-pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C24H27N7O
MOLECULAR WEIGHT: 429.51748
SMILES: C1CN(CCC1CN)C2=NC(=NC=C2C3=CC=NC=C3)NC4=CC5=C(C=C4)NC(=O)CC5
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Product OPENEYE NAME: 6-[[4-[4-(aminomethyl)-1-piperidyl]-5-cyclopropyl-pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
CAS Name: 6-[[4-[4-(aminomethyl)-1-piperidinyl]-5-cyclopropyl-2-pyrimidinyl]amino]-3,4-dihydro-1H-quinolin-2-one
IUPAC NAME: 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-cyclopropylpyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
SYSTEMATIC NAME: 6-[[4-[4-(aminomethyl)piperidin-1-yl]-5-cyclopropyl-pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one
MOLECULAR FORMULA: C22H28N6O
MOLECULAR WEIGHT: 392.49732
SMILES: C1CC1C2=CN=C(N=C2N3CCC(CC3)CN)NC4=CC5=C(C=C4)NC(=O)CC5
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Product OPENEYE NAME: 1-[4-[4-[[4-[4-(aminomethyl)-1-piperidyl]-5-fluoro-pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[4-[[4-[4-(aminomethyl)-1-piperidinyl]-5-fluoro-2-pyrimidinyl]amino]phenyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-5-fluoropyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C22H30FN7O
MOLECULAR WEIGHT: 427.518303
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N4CCC(CC4)CN)F
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Product OPENEYE NAME: [1-[5-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]pyrimidin-4-yl]-4-piperidyl]methylurea
CAS Name: [1-[5-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-4-pyrimidinyl]-4-piperidinyl]methylurea
IUPAC NAME: [1-[5-fluoro-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]pyrimidin-4-yl]piperidin-4-yl]methylurea
SYSTEMATIC NAME: 1-[[1-[5-fluoranyl-2-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)amino]pyrimidin-4-yl]piperidin-4-yl]methyl]urea
MOLECULAR FORMULA: C20H24FN7O2
MOLECULAR WEIGHT: 413.448663
SMILES: C1CN(CCC1CNC(=O)N)C2=NC(=NC=C2F)NC3=CC4=C(C=C3)NC(=O)CC4
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Product OPENEYE NAME: 1-[4-[4-[[5-fluoro-4-[4-(hydroxymethyl)-1-piperidyl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[4-[[5-fluoro-4-[4-(hydroxymethyl)-1-piperidinyl]-2-pyrimidinyl]amino]phenyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[4-[[5-fluoro-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[4-[[5-fluoranyl-4-[4-(hydroxymethyl)piperidin-1-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C22H29FN6O2
MOLECULAR WEIGHT: 428.503063
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N4CCC(CC4)CO)F
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Product OPENEYE NAME: 3-[[benzothiophen-5-yl(4-piperidyl)amino]methyl]benzamide
CAS Name: 3-[[1-benzothiophen-5-yl(4-piperidinyl)amino]methyl]benzamide
IUPAC NAME: 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide
SYSTEMATIC NAME: 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide
MOLECULAR FORMULA: C21H23N3OS
MOLECULAR WEIGHT: 365.49182
SMILES: C1CNCCC1N(CC2=CC=CC(=C2)C(=O)N)C3=CC4=C(C=C3)SC=C4
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Product OPENEYE NAME: 3-[[benzothiophen-5-yl(4-piperidyl)amino]methyl]benzoic acid
CAS Name: 3-[[1-benzothiophen-5-yl(4-piperidinyl)amino]methyl]benzoic acid
IUPAC NAME: 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid
SYSTEMATIC NAME: 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid
MOLECULAR FORMULA: C21H22N2O2S
MOLECULAR WEIGHT: 366.47658
SMILES: C1CNCCC1N(CC2=CC=CC(=C2)C(=O)O)C3=CC4=C(C=C3)SC=C4
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Product OPENEYE NAME: [3-[[1H-indol-5-yl(4-piperidyl)amino]methyl]phenyl]methanol
CAS Name: [3-[[1H-indol-5-yl(4-piperidinyl)amino]methyl]phenyl]methanol
IUPAC NAME: [3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanol
SYSTEMATIC NAME: [3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanol
MOLECULAR FORMULA: C21H25N3O
MOLECULAR WEIGHT: 335.4427
SMILES: C1CNCCC1N(CC2=CC(=CC=C2)CO)C3=CC4=C(C=C3)NC=C4
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Product OPENEYE NAME: 5-[benzyl(4-piperidyl)amino]-1H-indole-2-sulfonamide
CAS Name: 5-[(phenylmethyl)-(4-piperidinyl)amino]-1H-indole-2-sulfonamide
IUPAC NAME: 5-[benzyl(piperidin-4-yl)amino]-1H-indole-2-sulfonamide
SYSTEMATIC NAME: 5-[(phenylmethyl)-piperidin-4-yl-amino]-1H-indole-2-sulfonamide
MOLECULAR FORMULA: C20H24N4O2S
MOLECULAR WEIGHT: 384.49516
SMILES: C1CNCCC1N(CC2=CC=CC=C2)C3=CC4=C(C=C3)NC(=C4)S(=O)(=O)N
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