Saturday, November 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (E)-N-(3-formyl-4-morpholino-phenyl)-3-(2-furyl)prop-2-enamide
CAS Name: (E)-N-[3-formyl-4-(4-morpholinyl)phenyl]-3-(2-furanyl)-2-propenamide
IUPAC NAME: (E)-N-(3-formyl-4-morpholin-4-ylphenyl)-3-(furan-2-yl)prop-2-enamide
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-N-(3-methanoyl-4-morpholin-4-yl-phenyl)prop-2-enamide
MOLECULAR FORMULA: C18H18N2O4
MOLECULAR WEIGHT: 326.34652
SMILES: C1COCCN1C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CO3)C=O
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Product OPENEYE NAME: 2-morpholino-5-[[(E)-3-(2-thienyl)prop-2-enoyl]amino]benzamide
CAS Name: 2-(4-morpholinyl)-5-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]benzamide
IUPAC NAME: 2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
SYSTEMATIC NAME: 2-morpholin-4-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzamide
MOLECULAR FORMULA: C18H19N3O3S
MOLECULAR WEIGHT: 357.42676
SMILES: C1COCCN1C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CS3)C(=O)N
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Product OPENEYE NAME: (E)-N-(3-formyl-4-morpholino-phenyl)-3-(2-thienyl)prop-2-enamide
CAS Name: (E)-N-[3-formyl-4-(4-morpholinyl)phenyl]-3-thiophen-2-yl-2-propenamide
IUPAC NAME: (E)-N-(3-formyl-4-morpholin-4-ylphenyl)-3-thiophen-2-ylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(3-methanoyl-4-morpholin-4-yl-phenyl)-3-thiophen-2-yl-prop-2-enamide
MOLECULAR FORMULA: C18H18N2O3S
MOLECULAR WEIGHT: 342.41212
SMILES: C1COCCN1C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CS3)C=O
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Product OPENEYE NAME: N-[1-(tert-butylcarbamoyl)-4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-piperidyl]-5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carboxamide
CAS Name: N-[1-[(tert-butylamino)-oxomethyl]-4-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-3-piperidinyl]-5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carboxamide
IUPAC NAME: N-[1-(tert-butylcarbamoyl)-4-[(5-chloro-1H-indole-2-carbonyl)amino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
SYSTEMATIC NAME: N-[1-(tert-butylcarbamoyl)-4-[(5-chloranyl-1H-indol-2-yl)carbonylamino]piperidin-3-yl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
MOLECULAR FORMULA: C27H34ClN7O3S
MOLECULAR WEIGHT: 572.12196
SMILES: CC(C)(C)NC(=O)N1CCC(C(C1)NC(=O)C2=NC3=C(S2)CN(CC3)C)NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl
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Product OPENEYE NAME: N-[5-(4H-imidazol-4-yl)-1-methyl-2-oxo-3-pyridyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CAS Name: N-[5-(4H-imidazol-4-yl)-1-methyl-2-oxo-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-piperidinecarboxamide
IUPAC NAME: N-[5-(4H-imidazol-4-yl)-1-methyl-2-oxopyridin-3-yl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
SYSTEMATIC NAME: N-[5-(4H-imidazol-4-yl)-1-methyl-2-oxidanylidene-pyridin-3-yl]-4-(2-oxidanylidene-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
MOLECULAR FORMULA: C21H22N8O3
MOLECULAR WEIGHT: 434.45118
SMILES: CN1C=C(C=C(C1=O)NC(=O)N2CCC(CC2)N3C4=C(NC3=O)N=CC=C4)C5C=NC=N5
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Product OPENEYE NAME: tert-butyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylate
CAS Name: 4-[[(5-chloro-1H-indol-2-yl)-oxomethyl]amino]-3-[[(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-oxomethyl]amino]-1-piperidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]piperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-[(5-chloranyl-1H-indol-2-yl)carbonylamino]-3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonylamino]piperidine-1-carboxylate
MOLECULAR FORMULA: C27H33ClN6O4S
MOLECULAR WEIGHT: 573.10672
SMILES: CC(C)(C)OC(=O)N1CCC(C(C1)NC(=O)C2=NC3=C(S2)CN(CC3)C)NC(=O)C4=CC5=C(N4)C=CC(=C5)Cl
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Product OPENEYE NAME: [3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone
CAS Name: [3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
IUPAC NAME: [3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
SYSTEMATIC NAME: [3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-3,4-dihydropyrazol-2-yl]-phenyl-methanone
MOLECULAR FORMULA: C30H26N2O3
MOLECULAR WEIGHT: 462.53904
SMILES: COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5)OC
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Product OPENEYE NAME: (2R)-2-[[2-[(2,3-difluorophenyl)methylsulfanyl]-8-methyl-7H-purin-6-yl]amino]propan-1-ol
CAS Name: (2R)-2-[[2-[(2,3-difluorophenyl)methylthio]-8-methyl-7H-purin-6-yl]amino]-1-propanol
IUPAC NAME: (2R)-2-[[2-[(2,3-difluorophenyl)methylsulfanyl]-8-methyl-7H-purin-6-yl]amino]propan-1-ol
SYSTEMATIC NAME: (2R)-2-[[2-[[2,3-bis(fluoranyl)phenyl]methylsulfanyl]-8-methyl-7H-purin-6-yl]amino]propan-1-ol
MOLECULAR FORMULA: C16H17F2N5OS
MOLECULAR WEIGHT: 365.400886
SMILES: CC1=NC2=C(N1)C(=NC(=N2)SCC3=C(C(=CC=C3)F)F)N[C@H](C)CO
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Product OPENEYE NAME: N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CAS Name: N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]-2-(4-fluorophenyl)acetamide
IUPAC NAME: N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
SYSTEMATIC NAME: N-[3-chloranyl-4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)ethanamide
MOLECULAR FORMULA: C20H23ClFN3O
MOLECULAR WEIGHT: 375.867523
SMILES: CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)F)Cl
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Product OPENEYE NAME: methyl 2-[[4-(dimethylamino)-6-[[1-(1H-imidazol-5-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]-2-pyridyl]methylamino]-3-(1H-imidazol-5-yl)propanoate
CAS Name: 2-[[4-(dimethylamino)-6-[[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-2-pyridinyl]methylamino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester
IUPAC NAME: methyl 2-[[4-(dimethylamino)-6-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridin-2-yl]methylamino]-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: methyl 2-[[4-(dimethylamino)-6-[[3-(1H-imidazol-5-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]pyridin-2-yl]methylamino]-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C23H30N8O5
MOLECULAR WEIGHT: 498.5349
SMILES: CN(C)C1=CC(=NC(=C1)CNC(CC2=CN=CN2)C(=O)OC)C(=O)NC(CC3=CN=CN3)C(=O)OC
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Product OPENEYE NAME: N-[3-chloro-4-(2-pyridylmethoxy)phenyl]-3-[2-(oxazepan-2-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS Name: N-[3-chloro-4-(2-pyridinylmethoxy)phenyl]-3-[2-(2-oxazepanyl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC NAME: N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(oxazepan-2-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(1,2-oxazepan-2-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C24H26ClN7O3
MOLECULAR WEIGHT: 495.96134
SMILES: C1CCN(OCC1)CCOC2=NNC3=C2C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl
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Product OPENEYE NAME: N-[3-chloro-4-(2-pyridylmethoxy)phenyl]-3-[2-(4-methoxy-1-piperidyl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CAS Name: N-[3-chloro-4-(2-pyridinylmethoxy)phenyl]-3-[2-(4-methoxy-1-piperidinyl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC NAME: N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(4-methoxypiperidin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-[3-chloranyl-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(4-methoxypiperidin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
MOLECULAR FORMULA: C25H28ClN7O3
MOLECULAR WEIGHT: 509.98792
SMILES: COC1CCN(CC1)CCOC2=NNC3=C2C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl
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Product OPENEYE NAME: 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridyl)-N-(2-morpholino-2-oxo-ethyl)benzenesulfonamide
CAS Name: 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxo-3-pyridinyl)-N-[2-(4-morpholinyl)-2-oxoethyl]benzenesulfonamide
IUPAC NAME: 4-(4-chlorophenoxy)-N-(1-hydroxy-2-oxopyridin-3-yl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
SYSTEMATIC NAME: 4-(4-chloranylphenoxy)-N-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-N-(1-oxidanyl-2-oxidanylidene-pyridin-3-yl)benzenesulfonamide
MOLECULAR FORMULA: C23H22ClN3O7S
MOLECULAR WEIGHT: 519.95468
SMILES: C1COCCN1C(=O)CN(C2=CC=CN(C2=O)O)S(=O)(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)Cl
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