Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-(difluoromethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CAS Name: 4-(difluoromethylthio)-N-(1,3,5-trimethyl-4-pyrazolyl)benzamide
IUPAC NAME: 4-(difluoromethylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SYSTEMATIC NAME: 4-[bis(fluoranyl)methylsulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
MOLECULAR FORMULA: C14H15F2N3OS
MOLECULAR WEIGHT: 311.350206
SMILES: CC1=C(C(=NN1C)C)NC(=O)C2=CC=C(C=C2)SC(F)F
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate
MOLECULAR FORMULA: C23H27N3O4S
MOLECULAR WEIGHT: 441.54318
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)O
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CAS Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoate
MOLECULAR FORMULA: C21H17ClN4O5S
MOLECULAR WEIGHT: 472.90148
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O
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Product OPENEYE NAME: 3,6-dichloro-N-[(1R)-1-phenylbutyl]pyridine-2-carboxamide
CAS Name: 3,6-dichloro-N-[(1R)-1-phenylbutyl]-2-pyridinecarboxamide
IUPAC NAME: 3,6-dichloro-N-[(1R)-1-phenylbutyl]pyridine-2-carboxamide
SYSTEMATIC NAME: 3,6-bis(chloranyl)-N-[(1R)-1-phenylbutyl]pyridine-2-carboxamide
MOLECULAR FORMULA: C16H16Cl2N2O
MOLECULAR WEIGHT: 323.21704
SMILES: CCC[C@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=N2)Cl)Cl
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Product OPENEYE NAME: 3,6-dichloro-N-[(1S)-1-phenylbutyl]pyridine-2-carboxamide
CAS Name: 3,6-dichloro-N-[(1S)-1-phenylbutyl]-2-pyridinecarboxamide
IUPAC NAME: 3,6-dichloro-N-[(1S)-1-phenylbutyl]pyridine-2-carboxamide
SYSTEMATIC NAME: 3,6-bis(chloranyl)-N-[(1S)-1-phenylbutyl]pyridine-2-carboxamide
MOLECULAR FORMULA: C16H16Cl2N2O
MOLECULAR WEIGHT: 323.21704
SMILES: CCC[C@@H](C1=CC=CC=C1)NC(=O)C2=C(C=CC(=N2)Cl)Cl
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Product OPENEYE NAME: 2-chloro-N-[(1R)-1-phenylbutyl]pyridine-4-carboxamide
CAS Name: 2-chloro-N-[(1R)-1-phenylbutyl]-4-pyridinecarboxamide
IUPAC NAME: 2-chloro-N-[(1R)-1-phenylbutyl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-[(1R)-1-phenylbutyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C16H17ClN2O
MOLECULAR WEIGHT: 288.77198
SMILES: CCC[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC=C2)Cl
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Product OPENEYE NAME: 2-chloro-N-[(1S)-1-phenylbutyl]pyridine-4-carboxamide
CAS Name: 2-chloro-N-[(1S)-1-phenylbutyl]-4-pyridinecarboxamide
IUPAC NAME: 2-chloro-N-[(1S)-1-phenylbutyl]pyridine-4-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-[(1S)-1-phenylbutyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C16H17ClN2O
MOLECULAR WEIGHT: 288.77198
SMILES: CCC[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC=C2)Cl
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Product OPENEYE NAME: N-(4,5-dimethyloxazol-2-yl)-3,3-dimethyl-butanamide
CAS Name: N-(4,5-dimethyl-2-oxazolyl)-3,3-dimethylbutanamide
IUPAC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3-dimethylbutanamide
SYSTEMATIC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3-dimethyl-butanamide
MOLECULAR FORMULA: C11H18N2O2
MOLECULAR WEIGHT: 210.27282
SMILES: CC1=C(OC(=N1)NC(=O)CC(C)(C)C)C
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Product OPENEYE NAME: N-(4,5-dimethyloxazol-2-yl)-2,4-dimethyl-benzamide
CAS Name: N-(4,5-dimethyl-2-oxazolyl)-2,4-dimethylbenzamide
IUPAC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-dimethylbenzamide
SYSTEMATIC NAME: N-(4,5-dimethyl-1,3-oxazol-2-yl)-2,4-dimethyl-benzamide
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CC1=CC(=C(C=C1)C(=O)NC2=NC(=C(O2)C)C)C
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Product OPENEYE NAME: 2-(2-chlorophenyl)-N-(4,5-dimethyloxazol-2-yl)acetamide
CAS Name: 2-(2-chlorophenyl)-N-(4,5-dimethyl-2-oxazolyl)acetamide
IUPAC NAME: 2-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)acetamide
SYSTEMATIC NAME: 2-(2-chlorophenyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)ethanamide
MOLECULAR FORMULA: C13H13ClN2O2
MOLECULAR WEIGHT: 264.70752
SMILES: CC1=C(OC(=N1)NC(=O)CC2=CC=CC=C2Cl)C
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Product OPENEYE NAME: N-(4-cyanophenyl)-3-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propanamide
CAS Name: N-(4-cyanophenyl)-3-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propanamide
IUPAC NAME: N-(4-cyanophenyl)-3-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]propanamide
SYSTEMATIC NAME: N-(4-cyanophenyl)-3-[5-(4-fluorophenyl)-2-oxidanylidene-1,3,4-oxadiazol-3-yl]propanamide
MOLECULAR FORMULA: C18H13FN4O3
MOLECULAR WEIGHT: 352.319223
SMILES: C1=CC(=CC=C1C#N)NC(=O)CCN2C(=O)OC(=N2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-(4-cyanophenyl)-3-(2-isopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-propanamide
CAS Name: N-(4-cyanophenyl)-3-[(6-methyl-2-propan-2-yl-4-pyrimidinyl)thio]propanamide
IUPAC NAME: N-(4-cyanophenyl)-3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
SYSTEMATIC NAME: N-(4-cyanophenyl)-3-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C18H20N4OS
MOLECULAR WEIGHT: 340.4426
SMILES: CC1=CC(=NC(=N1)C(C)C)SCCC(=O)NC2=CC=C(C=C2)C#N
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Product OPENEYE NAME: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 5-sulfamoylthiophene-3-carboxylate
CAS Name: 5-sulfamoyl-3-thiophenecarboxylic acid [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 5-sulfamoylthiophene-3-carboxylate
SYSTEMATIC NAME: [2-[(4-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 5-sulfamoylthiophene-3-carboxylate
MOLECULAR FORMULA: C15H15FN2O5S2
MOLECULAR WEIGHT: 386.418403
SMILES: CN(CC1=CC=C(C=C1)F)C(=O)COC(=O)C2=CSC(=C2)S(=O)(=O)N
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate
CAS Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate
MOLECULAR FORMULA: C23H22N4O5S
MOLECULAR WEIGHT: 466.50958
SMILES: C[C@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)C
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate
CAS Name: 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate
MOLECULAR FORMULA: C23H22N4O5S
MOLECULAR WEIGHT: 466.50958
SMILES: C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OCC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)C
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Product OPENEYE NAME: N-allyl-2-[2-(methanesulfonamido)thiazol-4-yl]-N-(2-thienylmethyl)acetamide
CAS Name: 2-[2-(methanesulfonamido)-4-thiazolyl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
IUPAC NAME: 2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
SYSTEMATIC NAME: 2-[2-(methylsulfonylamino)-1,3-thiazol-4-yl]-N-prop-2-enyl-N-(thiophen-2-ylmethyl)ethanamide
MOLECULAR FORMULA: C14H17N3O3S3
MOLECULAR WEIGHT: 371.49808
SMILES: CS(=O)(=O)NC1=NC(=CS1)CC(=O)N(CC=C)CC2=CC=CS2
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Product OPENEYE NAME: 2-hydroxyethyl 1-isopropyl-6-methyl-pyrazolo[3,4-b]pyridine-5-carboxylate
CAS Name: 6-methyl-1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid 2-hydroxyethyl ester
IUPAC NAME: 2-hydroxyethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SYSTEMATIC NAME: 2-hydroxyethyl 6-methyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-5-carboxylate
MOLECULAR FORMULA: C13H17N3O3
MOLECULAR WEIGHT: 263.29238
SMILES: CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)OCCO
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(methanesulfonamido)thiazol-4-yl]acetamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(methanesulfonamido)-4-thiazolyl]acetamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(methanesulfonamido)-1,3-thiazol-4-yl]acetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[2-(methylsulfonylamino)-1,3-thiazol-4-yl]ethanamide
MOLECULAR FORMULA: C16H19N3O5S2
MOLECULAR WEIGHT: 397.46916
SMILES: CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CC3=CSC(=N3)NS(=O)(=O)C
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