Friday, December 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[(1-ethyl-2-benzimidazolyl)methyl]-2,4,5-trimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C20H21N5OS
MOLECULAR WEIGHT: 379.47864
SMILES: CCN1C2=CC=CC=C2N=C1CNC(=O)C3=C(C4=C(N=C(N=C4S3)C)C)C
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-butyl-1,3-dioxo-isoindoline-5-carboxylate
CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-butyl-1,3-dioxoisoindole-5-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate
MOLECULAR FORMULA: C20H17N3O5S
MOLECULAR WEIGHT: 411.43108
SMILES: CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: N-(4-fluorophenyl)-5-[[[1-(4-fluorophenyl)-2-methyl-propyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CAS Name: N-(4-fluorophenyl)-5-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: N-(4-fluorophenyl)-5-[[[1-(4-fluorophenyl)-2-methylpropyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-5-[[[1-(4-fluorophenyl)-2-methyl-propyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C20H20F2N4OS
MOLECULAR WEIGHT: 402.460806
SMILES: CC(C)C(C1=CC=C(C=C1)F)NCC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 4-[[5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CAS Name: 4-[[5-[(4-fluoroanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
IUPAC NAME: 4-[[5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SYSTEMATIC NAME: 4-[[5-[(4-fluorophenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
MOLECULAR FORMULA: C20H18FN5O3S
MOLECULAR WEIGHT: 427.452023
SMILES: CNC(=O)C1CN(C2=CC=CC=C2O1)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: 5-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[[2-(3,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[[2-(3,5-dimethylphenoxy)ethyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C21H23FN4O2S
MOLECULAR WEIGHT: 414.496323
SMILES: CC1=CC(=CC(=C1)OCCN(C)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F)C
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Product OPENEYE NAME: N-(4-fluorophenyl)-5-[[methyl-[2-(4-methylphenoxy)ethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CAS Name: N-(4-fluorophenyl)-5-[[methyl-[2-(4-methylphenoxy)ethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: N-(4-fluorophenyl)-5-[[methyl-[2-(4-methylphenoxy)ethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-5-[[methyl-[2-(4-methylphenoxy)ethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C20H21FN4O2S
MOLECULAR WEIGHT: 400.469743
SMILES: CC1=CC=C(C=C1)OCCN(C)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 5-[[2-(2-chlorophenoxy)ethyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[[2-(2-chloranylphenoxy)ethyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C19H18ClFN4O2S
MOLECULAR WEIGHT: 420.888223
SMILES: CN(CCOC1=CC=CC=C1Cl)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: 5-[[2-(2-fluorophenoxy)ethyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[[2-(2-fluoranylphenoxy)ethyl-methyl-amino]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C19H18F2N4O2S
MOLECULAR WEIGHT: 404.433626
SMILES: CN(CCOC1=CC=CC=C1F)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(4-fluorophenyl)-5-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
CAS Name: N-(4-fluorophenyl)-5-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: N-(4-fluorophenyl)-5-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: N-(4-fluorophenyl)-5-[[methyl-[2-(3-methylphenoxy)ethyl]amino]methyl]-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C20H21FN4O2S
MOLECULAR WEIGHT: 400.469743
SMILES: CC1=CC(=CC=C1)OCCN(C)CC2=NN=C(S2)C(=O)NC3=CC=C(C=C3)F
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H18N4O4S2
MOLECULAR WEIGHT: 442.51132
SMILES: CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)OCC4=NOC(=N4)C5=CSC=C5
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 2-methyl-1-phenyl-benzimidazole-5-carboxylate
CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 2-methyl-1-phenyl-benzimidazole-5-carboxylate
MOLECULAR FORMULA: C22H16N4O3S
MOLECULAR WEIGHT: 416.45244
SMILES: CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC4=NOC(=N4)C5=CSC=C5
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3-ethyl-4-oxo-phthalazine-1-carboxylate
CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-ethyl-4-oxophthalazine-1-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate
MOLECULAR FORMULA: C18H14N4O4S
MOLECULAR WEIGHT: 382.39316
SMILES: CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: 5-[(4-benzamido-1-piperidyl)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CAS Name: 5-[(4-benzamido-1-piperidinyl)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
IUPAC NAME: 5-[(4-benzamidopiperidin-1-yl)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
SYSTEMATIC NAME: 5-[(4-benzamidopiperidin-1-yl)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
MOLECULAR FORMULA: C22H22FN5O2S
MOLECULAR WEIGHT: 439.505783
SMILES: C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F
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Product OPENEYE NAME: [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
CAS Name: [4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-(2,4,5-trimethyl-6-thieno[2,3-d]pyrimidinyl)methanone
IUPAC NAME: [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
SYSTEMATIC NAME: [4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-(2,4,5-trimethylthieno[2,3-d]pyrimidin-6-yl)methanone
MOLECULAR FORMULA: C20H20F2N4O3S2
MOLECULAR WEIGHT: 466.524606
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F
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Product OPENEYE NAME: [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
CAS Name: [4-(2,5-difluorophenyl)sulfonyl-1-piperazinyl]-(1H-indazol-7-yl)methanone
IUPAC NAME: [4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
SYSTEMATIC NAME: [4-[2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-(1H-indazol-7-yl)methanone
MOLECULAR FORMULA: C18H16F2N4O3S
MOLECULAR WEIGHT: 406.406446
SMILES: C1CN(CCN1C(=O)C2=CC=CC3=C2NN=C3)S(=O)(=O)C4=C(C=CC(=C4)F)F
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
CAS Name: 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-(2,5-dimethylphenyl)-6-oxidanylidene-4,5-dihydropyridazine-3-carboxylate
MOLECULAR FORMULA: C20H18N4O4S
MOLECULAR WEIGHT: 410.44632
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)CCC(=N2)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: N-benzyl-1-(1H-indazole-7-carbonyl)piperidine-4-carboxamide
CAS Name: 1-[1H-indazol-7-yl(oxo)methyl]-N-(phenylmethyl)-4-piperidinecarboxamide
IUPAC NAME: N-benzyl-1-(1H-indazole-7-carbonyl)piperidine-4-carboxamide
SYSTEMATIC NAME: 1-(1H-indazol-7-ylcarbonyl)-N-(phenylmethyl)piperidine-4-carboxamide
MOLECULAR FORMULA: C21H22N4O2
MOLECULAR WEIGHT: 362.42498
SMILES: C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)C3=CC=CC4=C3NN=C4
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate
CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate
MOLECULAR FORMULA: C18H13FN4O3S2
MOLECULAR WEIGHT: 416.449223
SMILES: CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC3=NOC(=N3)C4=CSC=C4
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 1-butyl-6-oxo-pyridazine-3-carboxylate
CAS Name: 1-butyl-6-oxo-3-pyridazinecarboxylic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 1-butyl-6-oxidanylidene-pyridazine-3-carboxylate
MOLECULAR FORMULA: C16H16N4O4S
MOLECULAR WEIGHT: 360.38764
SMILES: CCCCN1C(=O)C=CC(=N1)C(=O)OCC2=NOC(=N2)C3=CSC=C3
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Product OPENEYE NAME: 3-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(3-thienyl)-1,2,4-oxadiazole
CAS Name: 3-[[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-5-(3-thiophenyl)-1,2,4-oxadiazole
IUPAC NAME: 3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
MOLECULAR FORMULA: C21H22N6OS2
MOLECULAR WEIGHT: 438.56898
SMILES: C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NOC(=N4)C5=CSC=C5
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Product OPENEYE NAME: N-[2-(2-furylmethylamino)-2-oxo-ethyl]-2,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
CAS Name: N-[2-(2-furanylmethylamino)-2-oxoethyl]-2,4,5-trimethyl-6-thieno[2,3-d]pyrimidinecarboxamide
IUPAC NAME: N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4,5-trimethylthieno[2,3-d]pyrimidine-6-carboxamide
SYSTEMATIC NAME: N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-2,4,5-trimethyl-thieno[2,3-d]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C17H18N4O3S
MOLECULAR WEIGHT: 358.41482
SMILES: CC1=C(SC2=NC(=NC(=C12)C)C)C(=O)NCC(=O)NCC3=CC=CO3
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Product OPENEYE NAME: [5-(3-thienyl)-1,2,4-oxadiazol-3-yl]methyl 4-chloro-3-(dimethylsulfamoyl)benzoate
CAS Name: 4-chloro-3-(dimethylsulfamoyl)benzoic acid [5-(3-thiophenyl)-1,2,4-oxadiazol-3-yl]methyl ester
IUPAC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-chloro-3-(dimethylsulfamoyl)benzoate
SYSTEMATIC NAME: (5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl 4-chloranyl-3-(dimethylsulfamoyl)benzoate
MOLECULAR FORMULA: C16H14ClN3O5S2
MOLECULAR WEIGHT: 427.88246
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC2=NOC(=N2)C3=CSC=C3)Cl
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