Sunday, June 2, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-[[(2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium
CAS Name: [(1R)-2-[[(2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-1-oxopropyl]amino]-1-phenylethyl]-dimethylammonium
IUPAC NAME: [(1R)-2-[[(2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenylethyl]-dimethylazanium
SYSTEMATIC NAME: [(1R)-2-[[(2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanylpropanoyl]amino]-1-phenyl-ethyl]-dimethyl-azanium
MOLECULAR FORMULA: C26H28N5OS+
MOLECULAR WEIGHT: 458.59842
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@@H](C)C(=O)NC[C@@H](C4=CC=CC=C4)[NH+](C)C)C#N
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Product OPENEYE NAME: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]propanamide
CAS Name: (2S)-2-[(4-cyano-3-methyl-1-pyrido[1,2-a]benzimidazolyl)thio]-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
IUPAC NAME: (2S)-2-(4-cyano-3-methylpyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
SYSTEMATIC NAME: (2S)-2-(4-cyano-3-methyl-pyrido[1,2-a]benzimidazol-1-yl)sulfanyl-N-[(2R)-2-(dimethylamino)-2-phenyl-ethyl]propanamide
MOLECULAR FORMULA: C26H27N5OS
MOLECULAR WEIGHT: 457.59048
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)S[C@@H](C)C(=O)NC[C@@H](C4=CC=CC=C4)N(C)C)C#N
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Product OPENEYE NAME: 2-(2,4-dioxopyrimidin-1-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CAS Name: 2-(2,4-dioxo-1-pyrimidinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
IUPAC NAME: 2-(2,4-dioxopyrimidin-1-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C16H16F3N3O4
MOLECULAR WEIGHT: 371.31115
SMILES: CCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CN2C=CC(=O)NC2=O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H17N5O2S2
MOLECULAR WEIGHT: 411.50058
SMILES: C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CSCC(=O)NC4=CC5=C(C=C4)NN=C5
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Product OPENEYE NAME: N-(5-chloro-2-pyrrolidin-1-yl-phenyl)-4-(prop-2-ynylsulfamoyl)benzamide
CAS Name: N-[5-chloro-2-(1-pyrrolidinyl)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide
IUPAC NAME: N-(5-chloro-2-pyrrolidin-1-ylphenyl)-4-(prop-2-ynylsulfamoyl)benzamide
SYSTEMATIC NAME: N-(5-chloranyl-2-pyrrolidin-1-yl-phenyl)-4-(prop-2-ynylsulfamoyl)benzamide
MOLECULAR FORMULA: C20H20ClN3O3S
MOLECULAR WEIGHT: 417.9091
SMILES: C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)N3CCCC3
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Product OPENEYE NAME: isopropyl 4-sulfamoylbenzoate
CAS Name: 4-sulfamoylbenzoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 4-sulfamoylbenzoate
SYSTEMATIC NAME: propan-2-yl 4-sulfamoylbenzoate
MOLECULAR FORMULA: C10H13NO4S
MOLECULAR WEIGHT: 243.27952
SMILES: CC(C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N
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Product OPENEYE NAME: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloro-4,6-dimethyl-phenyl)propanamide
CAS Name: (2R)-2-(1,3-benzoxazol-2-ylthio)-N-(2-chloro-4,6-dimethylphenyl)propanamide
IUPAC NAME: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
SYSTEMATIC NAME: (2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloranyl-4,6-dimethyl-phenyl)propanamide
MOLECULAR FORMULA: C18H17ClN2O2S
MOLECULAR WEIGHT: 360.85778
SMILES: CC1=CC(=C(C(=C1)Cl)NC(=O)[C@@H](C)SC2=NC3=CC=CC=C3O2)C
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Product OPENEYE NAME: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloro-4,6-dimethyl-phenyl)propanamide
CAS Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-N-(2-chloro-4,6-dimethylphenyl)propanamide
IUPAC NAME: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloro-4,6-dimethylphenyl)propanamide
SYSTEMATIC NAME: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-chloranyl-4,6-dimethyl-phenyl)propanamide
MOLECULAR FORMULA: C18H17ClN2O2S
MOLECULAR WEIGHT: 360.85778
SMILES: CC1=CC(=C(C(=C1)Cl)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3O2)C
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Product OPENEYE NAME: benzyl N-[(1R)-2-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-1-methyl-2-oxo-ethyl]carbamate
CAS Name: N-[(2R)-1-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
IUPAC NAME: benzyl N-[(2R)-1-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[(2R)-1-[[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C22H28ClN4O3+
MOLECULAR WEIGHT: 431.93572
SMILES: C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)N2CC[NH+](CC2)C)NC(=O)OCC3=CC=CC=C3
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