Tuesday, May 28, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]prop-2-enamide
CAS Name: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2R,6R)-2,6-dimethyl-4-morpholinyl]-2-methylpropyl]-2-propenamide
IUPAC NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3,5-dimethoxyphenyl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-propyl]prop-2-enamide
MOLECULAR FORMULA: C21H32N2O4
MOLECULAR WEIGHT: 376.48978
SMILES: C[C@@H]1CN(C[C@H](O1)C)C(C)(C)CNC(=O)/C=C/C2=CC(=CC(=C2)OC)OC
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Product OPENEYE NAME: (E)-3-(2-furyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]prop-2-enamide
CAS Name: (E)-3-(2-furanyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-propenamide
IUPAC NAME: (E)-3-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]prop-2-enamide
MOLECULAR FORMULA: C16H19N3O3
MOLECULAR WEIGHT: 301.34036
SMILES: CC1=NC(=NO1)C2(CCCCC2)NC(=O)/C=C/C3=CC=CO3
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Product OPENEYE NAME: 2-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CAS Name: 2-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
IUPAC NAME: 2-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]ethanamide
MOLECULAR FORMULA: C18H23N3O3
MOLECULAR WEIGHT: 329.39352
SMILES: CC1=NC(=NO1)C2(CCCCC2)NC(=O)CC3=CC=C(C=C3)OC
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Product OPENEYE NAME: (2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
CAS Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(1S)-1-[1-(difluoromethyl)-2-benzimidazolyl]ethyl]propanamide
IUPAC NAME: (2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
SYSTEMATIC NAME: (2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(1S)-1-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]ethyl]propanamide
MOLECULAR FORMULA: C20H19F2N5OS
MOLECULAR WEIGHT: 415.459566
SMILES: C[C@@H](C1=NC2=CC=CC=C2N1C(F)F)NC(=O)[C@@H](C)NC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
CAS Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(1S)-1-[1-(difluoromethyl)-2-benzimidazolyl]ethyl]propanamide
IUPAC NAME: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(1S)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
SYSTEMATIC NAME: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(1S)-1-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]ethyl]propanamide
MOLECULAR FORMULA: C20H19F2N5OS
MOLECULAR WEIGHT: 415.459566
SMILES: C[C@@H](C1=NC2=CC=CC=C2N1C(F)F)NC(=O)[C@H](C)NC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: (2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
CAS Name: (2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(1R)-1-[1-(difluoromethyl)-2-benzimidazolyl]ethyl]propanamide
IUPAC NAME: (2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
SYSTEMATIC NAME: (2R)-2-(1,3-benzothiazol-2-ylamino)-N-[(1R)-1-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]ethyl]propanamide
MOLECULAR FORMULA: C20H19F2N5OS
MOLECULAR WEIGHT: 415.459566
SMILES: C[C@H](C1=NC2=CC=CC=C2N1C(F)F)NC(=O)[C@@H](C)NC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
CAS Name: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(1R)-1-[1-(difluoromethyl)-2-benzimidazolyl]ethyl]propanamide
IUPAC NAME: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(1R)-1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
SYSTEMATIC NAME: (2S)-2-(1,3-benzothiazol-2-ylamino)-N-[(1R)-1-[1-[bis(fluoranyl)methyl]benzimidazol-2-yl]ethyl]propanamide
MOLECULAR FORMULA: C20H19F2N5OS
MOLECULAR WEIGHT: 415.459566
SMILES: C[C@H](C1=NC2=CC=CC=C2N1C(F)F)NC(=O)[C@H](C)NC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 2-[2,5-dimethyl-3-(2-methylthiazol-4-yl)pyrrol-1-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CAS Name: 2-[2,5-dimethyl-3-(2-methyl-4-thiazolyl)-1-pyrrolyl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
IUPAC NAME: 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]phenyl]-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]ethanamide
MOLECULAR FORMULA: C21H24N4O3S2
MOLECULAR WEIGHT: 444.57026
SMILES: CC1=CC(=C(N1CC(=O)NC2=CC=C(C=C2)N3CCCS3(=O)=O)C)C4=CSC(=N4)C
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Product OPENEYE NAME: N-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxo-ethyl]-2,4-difluoro-benzamide
CAS Name: N-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
IUPAC NAME: N-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
SYSTEMATIC NAME: N-[2-[[4-(cyclopropylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-2,4-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C18H17F2N3O4S
MOLECULAR WEIGHT: 409.407086
SMILES: C1CC1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=C(C=C(C=C3)F)F
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Product OPENEYE NAME: 5-[2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-2-oxo-ethyl]-4-methyl-thiazole-2-thiolate
CAS Name: 5-[2-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]anilino]-2-oxoethyl]-4-methyl-2-thiazolethiolate
IUPAC NAME: 5-[2-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylanilino]-2-oxoethyl]-4-methyl-1,3-thiazole-2-thiolate
SYSTEMATIC NAME: 5-[2-[[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazole-2-thiolate
MOLECULAR FORMULA: C18H17N4OS3-
MOLECULAR WEIGHT: 401.54878
SMILES: CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC3=C(N=C(S3)[S-])C)C
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Product OPENEYE NAME: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-methyl-2-thioxo-3H-thiazol-5-yl)acetamide
CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-(4-methyl-2-sulfanylidene-3H-thiazol-5-yl)acetamide
IUPAC NAME: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SYSTEMATIC NAME: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanamide
MOLECULAR FORMULA: C18H18N4OS3
MOLECULAR WEIGHT: 402.55672
SMILES: CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC3=C(NC(=S)S3)C)C
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Product OPENEYE NAME: (3R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CAS Name: (3R)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-1-[2-furanyl(oxo)methyl]-3-piperidinecarboxamide
IUPAC NAME: (3R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
SYSTEMATIC NAME: (3R)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(furan-2-ylcarbonyl)piperidine-3-carboxamide
MOLECULAR FORMULA: C23H24N4O3S
MOLECULAR WEIGHT: 436.52666
SMILES: CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)[C@@H]3CCCN(C3)C(=O)C4=CC=CO4)C
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