Wednesday, May 1, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-ethyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]thiadiazole-5-carboxamide
CAS Name: 4-ethyl-N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-5-thiadiazolecarboxamide
IUPAC NAME: 4-ethyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]thiadiazole-5-carboxamide
SYSTEMATIC NAME: 4-ethyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-1,2,3-thiadiazole-5-carboxamide
MOLECULAR FORMULA: C19H27N4OS+
MOLECULAR WEIGHT: 359.50888
SMILES: CCC1=C(SN=N1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCC(CC3)C
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Product OPENEYE NAME: 4-ethyl-N-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]thiadiazole-5-carboxamide
CAS Name: 4-ethyl-N-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methyl]-5-thiadiazolecarboxamide
IUPAC NAME: 4-ethyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thiadiazole-5-carboxamide
SYSTEMATIC NAME: 4-ethyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2,3-thiadiazole-5-carboxamide
MOLECULAR FORMULA: C19H26N4OS
MOLECULAR WEIGHT: 358.50094
SMILES: CCC1=C(SN=N1)C(=O)NCC2=CC=C(C=C2)CN3CCC(CC3)C
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Product OPENEYE NAME: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]acetamide
CAS Name: 2-[5,7-dimethyl-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methyl]acetamide
IUPAC NAME: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SYSTEMATIC NAME: 2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamide
MOLECULAR FORMULA: C24H32N6OS
MOLECULAR WEIGHT: 452.61548
SMILES: CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)CC3=C(N4C(=NC(=N4)SC)N=C3C)C
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Product OPENEYE NAME: 6-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CAS Name: 6-methyl-2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]imidazo[1,2-a]pyridine
IUPAC NAME: 6-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SYSTEMATIC NAME: 6-methyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C17H15N5S
MOLECULAR WEIGHT: 321.3995
SMILES: CC1=CN2C=C(N=C2C=C1)CSC3=NN(C=N3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CAS Name: 2-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]imidazo[1,2-a]pyridine
IUPAC NAME: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SYSTEMATIC NAME: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C16H13N5S
MOLECULAR WEIGHT: 307.37292
SMILES: C1=CC=C(C=C1)N2C=NC(=N2)SCC3=CN4C=CC=CC4=N3
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Product OPENEYE NAME: N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS Name: N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide
IUPAC NAME: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C21H20N6OS
MOLECULAR WEIGHT: 404.4881
SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)CSC3=NN(C=N3)C4=CC=CC=C4
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Product OPENEYE NAME: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(2-thienylmethyl)piperazin-1-yl]ethanone
CAS Name: 2-[(1-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethanone
IUPAC NAME: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SYSTEMATIC NAME: 2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
MOLECULAR FORMULA: C19H21N5OS2
MOLECULAR WEIGHT: 399.53294
SMILES: C1CN(CCN1CC2=CC=CS2)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(difluoromethyl)-2-[(1R)-1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzimidazole
CAS Name: 1-(difluoromethyl)-2-[(1R)-1-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]benzimidazole
IUPAC NAME: 1-(difluoromethyl)-2-[(1R)-1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzimidazole
SYSTEMATIC NAME: 1-[bis(fluoranyl)methyl]-2-[(1R)-1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzimidazole
MOLECULAR FORMULA: C18H15F2N5S
MOLECULAR WEIGHT: 371.407006
SMILES: C[C@H](C1=NC2=CC=CC=C2N1C(F)F)SC3=NN(C=N3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(difluoromethyl)-2-[(1S)-1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzimidazole
CAS Name: 1-(difluoromethyl)-2-[(1S)-1-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]benzimidazole
IUPAC NAME: 1-(difluoromethyl)-2-[(1S)-1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzimidazole
SYSTEMATIC NAME: 1-[bis(fluoranyl)methyl]-2-[(1S)-1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzimidazole
MOLECULAR FORMULA: C18H15F2N5S
MOLECULAR WEIGHT: 371.407006
SMILES: C[C@@H](C1=NC2=CC=CC=C2N1C(F)F)SC3=NN(C=N3)C4=CC=CC=C4
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Product OPENEYE NAME: 1-(6-methoxypyridazin-3-yl)-N-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CAS Name: 1-(6-methoxy-3-pyridazinyl)-N-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide
IUPAC NAME: 1-(6-methoxypyridazin-3-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SYSTEMATIC NAME: 1-(6-methoxypyridazin-3-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
MOLECULAR FORMULA: C24H27F3N6O2
MOLECULAR WEIGHT: 488.50539
SMILES: CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(N(N=C3)C4=NN=C(C=C4)OC)C(F)(F)F
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Product OPENEYE NAME: 1-methyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-oxo-pyridine-4-carboxamide
CAS Name: 1-methyl-N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-2-oxo-4-pyridinecarboxamide
IUPAC NAME: 1-methyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-oxopyridine-4-carboxamide
SYSTEMATIC NAME: 1-methyl-N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-oxidanylidene-pyridine-4-carboxamide
MOLECULAR FORMULA: C21H28N3O2+
MOLECULAR WEIGHT: 354.46592
SMILES: CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=O)N(C=C3)C
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Product OPENEYE NAME: 1-methyl-N-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]-2-oxo-pyridine-4-carboxamide
CAS Name: 1-methyl-N-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methyl]-2-oxo-4-pyridinecarboxamide
IUPAC NAME: 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxopyridine-4-carboxamide
SYSTEMATIC NAME: 1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxidanylidene-pyridine-4-carboxamide
MOLECULAR FORMULA: C21H27N3O2
MOLECULAR WEIGHT: 353.45798
SMILES: CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=O)N(C=C3)C
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Product OPENEYE NAME: N-[2-[(5Z)-5-[(4-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethyl]-6-methyl-pyridine-3-carboxamide
CAS Name: N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethyl]-6-methyl-3-pyridinecarboxamide
IUPAC NAME: N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-6-methylpyridine-3-carboxamide
SYSTEMATIC NAME: N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethyl]-6-methyl-pyridine-3-carboxamide
MOLECULAR FORMULA: C19H16FN3O3S
MOLECULAR WEIGHT: 385.412043
SMILES: CC1=NC=C(C=C1)C(=O)NCCN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=O
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Product OPENEYE NAME: N-[4-[2-(methylamino)-2-oxo-ethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CAS Name: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
IUPAC NAME: N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SYSTEMATIC NAME: N-[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide
MOLECULAR FORMULA: C14H14N4O3
MOLECULAR WEIGHT: 286.28596
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)C2=NNC(=O)C=C2
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Product OPENEYE NAME: N-methyl-2-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]acetamide
CAS Name: N-methyl-2-[4-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]phenyl]acetamide
IUPAC NAME: N-methyl-2-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]acetamide
SYSTEMATIC NAME: N-methyl-2-[4-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]phenyl]ethanamide
MOLECULAR FORMULA: C19H18N4O3
MOLECULAR WEIGHT: 350.37122
SMILES: CNC(=O)CC1=CC=C(C=C1)NC(=O)CN2C=NC3=CC=CC=C3C2=O
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Product OPENEYE NAME: [2-(3-fluoroanilino)-2-oxo-ethyl]-[2-[(3R)-3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(3-fluoroanilino)-2-oxoethyl]-[2-[(3R)-3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylammonium
IUPAC NAME: [2-(3-fluoroanilino)-2-oxoethyl]-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C25H26FN4O4+
MOLECULAR WEIGHT: 465.496743
SMILES: C[NH+](CC(=O)NC1=CC(=CC=C1)F)CC(=O)N2[C@H](CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4
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Product OPENEYE NAME: N-(3-fluorophenyl)-2-[[2-[(3R)-3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-methyl-amino]acetamide
CAS Name: N-(3-fluorophenyl)-2-[[2-[(3R)-3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetamide
IUPAC NAME: N-(3-fluorophenyl)-2-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetamide
SYSTEMATIC NAME: N-(3-fluorophenyl)-2-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-methyl-amino]ethanamide
MOLECULAR FORMULA: C25H25FN4O4
MOLECULAR WEIGHT: 464.488803
SMILES: CN(CC(=O)NC1=CC(=CC=C1)F)CC(=O)N2[C@H](CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4
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Product OPENEYE NAME: [2-(3-fluoroanilino)-2-oxo-ethyl]-[2-[(3S)-3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-(3-fluoroanilino)-2-oxoethyl]-[2-[(3S)-3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylammonium
IUPAC NAME: [2-(3-fluoroanilino)-2-oxoethyl]-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C25H26FN4O4+
MOLECULAR WEIGHT: 465.496743
SMILES: C[NH+](CC(=O)NC1=CC(=CC=C1)F)CC(=O)N2[C@@H](CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4
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Product OPENEYE NAME: N-(3-fluorophenyl)-2-[[2-[(3S)-3-(2-furyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-methyl-amino]acetamide
CAS Name: N-(3-fluorophenyl)-2-[[2-[(3S)-3-(2-furanyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetamide
IUPAC NAME: N-(3-fluorophenyl)-2-[[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetamide
SYSTEMATIC NAME: N-(3-fluorophenyl)-2-[[2-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-methyl-amino]ethanamide
MOLECULAR FORMULA: C25H25FN4O4
MOLECULAR WEIGHT: 464.488803
SMILES: CN(CC(=O)NC1=CC(=CC=C1)F)CC(=O)N2[C@@H](CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4
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Product OPENEYE NAME: 2,4-difluoro-N-[3-[2-[(5Z)-5-[(4-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]ethylamino]-3-oxo-propyl]benzamide
CAS Name: 2,4-difluoro-N-[3-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-3-thiazolidinyl]ethylamino]-3-oxopropyl]benzamide
IUPAC NAME: 2,4-difluoro-N-[3-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-3-oxopropyl]benzamide
SYSTEMATIC NAME: 2,4-bis(fluoranyl)-N-[3-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-bis(oxidanylidene)-1,3-thiazolidin-3-yl]ethylamino]-3-oxidanylidene-propyl]benzamide
MOLECULAR FORMULA: C22H18F3N3O4S
MOLECULAR WEIGHT: 477.45623
SMILES: C1=CC(=CC=C1/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)CCNC(=O)C3=C(C=C(C=C3)F)F)F
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