Saturday, January 21, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[4-(2-amino-1,5-dicyano-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-en-6-yl)phenyl]acetamide
CAS Name: N-[4-(2-amino-1,5-dicyano-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-en-6-yl)phenyl]acetamide
IUPAC NAME: N-[4-(2-amino-1,5-dicyano-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-en-6-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(2-azanyl-1,5-dicyano-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-en-6-yl)phenyl]ethanamide
MOLECULAR FORMULA: C19H22N5O3+
MOLECULAR WEIGHT: 368.40968
SMILES: CCOC1(C2(C(C2(C(=[NH+]1)N)C#N)C3=CC=C(C=C3)NC(=O)C)C#N)OCC
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Product OPENEYE NAME: (3-acetoxy-5-benzamido-4,6-dimethoxy-tetrahydropyran-2-yl)methyl acetate
CAS Name: acetic acid (3-acetyloxy-5-benzamido-4,6-dimethoxy-2-oxanyl)methyl ester
IUPAC NAME: (3-acetyloxy-5-benzamido-4,6-dimethoxyoxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3-acetyloxy-5-benzamido-4,6-dimethoxy-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C19H25NO8
MOLECULAR WEIGHT: 395.4037
SMILES: CC(=O)OCC1C(C(C(C(O1)OC)NC(=O)C2=CC=CC=C2)OC)OC(=O)C
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Product OPENEYE NAME: ethyl 2-(2,4-dimethylphenyl)-2-(ethoxycarbonylamino)acetate
CAS Name: 2-(2,4-dimethylphenyl)-2-(ethoxycarbonylamino)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(2,4-dimethylphenyl)-2-(ethoxycarbonylamino)acetate
SYSTEMATIC NAME: ethyl 2-(2,4-dimethylphenyl)-2-(ethoxycarbonylamino)ethanoate
MOLECULAR FORMULA: C15H21NO4
MOLECULAR WEIGHT: 279.33154
SMILES: CCOC(=O)C(C1=C(C=C(C=C1)C)C)NC(=O)OCC
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Product OPENEYE NAME: 1-(2,6-diethylphenyl)-3-[2-(2-pyridyl)ethyl]urea
CAS Name: 1-(2,6-diethylphenyl)-3-[2-(2-pyridinyl)ethyl]urea
IUPAC NAME: 1-(2,6-diethylphenyl)-3-(2-pyridin-2-ylethyl)urea
SYSTEMATIC NAME: 1-(2,6-diethylphenyl)-3-(2-pyridin-2-ylethyl)urea
MOLECULAR FORMULA: C18H23N3O
MOLECULAR WEIGHT: 297.39472
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)NCCC2=CC=CC=N2
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Product OPENEYE NAME: 4-hydroxy-5-methyl-2,3,4-triphenyl-cyclopent-2-en-1-one
CAS Name: 4-hydroxy-5-methyl-2,3,4-triphenyl-1-cyclopent-2-enone
IUPAC NAME: 4-hydroxy-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
SYSTEMATIC NAME: 5-methyl-4-oxidanyl-2,3,4-triphenyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C24H20O2
MOLECULAR WEIGHT: 340.4144
SMILES: CC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: ethyl 1-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxylate
CAS Name: 1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-4-pyridin-1-iumcarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]pyridin-1-ium-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-carboxylate
MOLECULAR FORMULA: C17H17N2O5+
MOLECULAR WEIGHT: 329.32728
SMILES: CCOC(=O)C1=CC=[N+](C=C1)CC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]
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Product OPENEYE NAME: bis(trifluoromethylsulfonyl)azanide
CAS Name: bis(trifluoromethylsulfonyl)azanide
IUPAC NAME: bis(trifluoromethylsulfonyl)azanide
SYSTEMATIC NAME: bis(trifluoromethylsulfonyl)azanide
MOLECULAR FORMULA: C2F6NO4S2-
MOLECULAR WEIGHT: 280.146119
SMILES: C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
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Product OPENEYE NAME: sodium 2-hydroxypentanoate
CAS Name: sodium 2-hydroxypentanoate
IUPAC NAME: sodium 2-hydroxypentanoate
SYSTEMATIC NAME: sodium 2-oxidanylpentanoate
MOLECULAR FORMULA: C5H9NaO3
MOLECULAR WEIGHT: 140.11293
SMILES: CCCC(C(=O)[O-])O.[Na+]
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Product OPENEYE NAME: 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CAS Name: 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium
IUPAC NAME: 2-chloro-1,3-dimethyl-4,5-dihydroimidazol-1-ium
SYSTEMATIC NAME: 2-chloranyl-1,3-dimethyl-4,5-dihydroimidazol-1-ium
MOLECULAR FORMULA: C5H10ClN2+
MOLECULAR WEIGHT: 133.5993
SMILES: CN1CC[N+](=C1Cl)C
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Product OPENEYE NAME: 2-[6-amino-1-(4-chlorophenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)acetamide
CAS Name: 2-[[6-amino-1-(4-chlorophenyl)-4-oxo-2-pyrimidinyl]thio]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
IUPAC NAME: 2-[6-amino-1-(4-chlorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-[6-azanyl-1-(4-chlorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C17H17ClN6O2S2
MOLECULAR WEIGHT: 436.93888
SMILES: CC(C)C1=NN=C(S1)NC(=O)CSC2=NC(=O)C=C(N2C3=CC=C(C=C3)Cl)N
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Product OPENEYE NAME: 1-chloro-3-(o-tolylsulfanylmethyl)benzene
CAS Name: 1-chloro-3-[[(2-methylphenyl)thio]methyl]benzene
IUPAC NAME: 1-chloro-3-[(2-methylphenyl)sulfanylmethyl]benzene
SYSTEMATIC NAME: 1-chloranyl-3-[(2-methylphenyl)sulfanylmethyl]benzene
MOLECULAR FORMULA: C14H13ClS
MOLECULAR WEIGHT: 248.77102
SMILES: CC1=CC=CC=C1SCC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: (4-acetylphenyl) 2-(2,4-dichlorophenoxy)propanoate
CAS Name: 2-(2,4-dichlorophenoxy)propanoic acid (4-acetylphenyl) ester
IUPAC NAME: (4-acetylphenyl) 2-(2,4-dichlorophenoxy)propanoate
SYSTEMATIC NAME: (4-ethanoylphenyl) 2-[2,4-bis(chloranyl)phenoxy]propanoate
MOLECULAR FORMULA: C17H14Cl2O4
MOLECULAR WEIGHT: 353.19666
SMILES: CC(C(=O)OC1=CC=C(C=C1)C(=O)C)OC2=C(C=C(C=C2)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H27Br3N2O5
MOLECULAR WEIGHT: 795.31128
SMILES: CC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C(C6Br)Br)C(=O)OC(C)C(=O)C7=CC=CC=C7
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Product OPENEYE NAME: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethyl-quinoline-4-carboxylate
CAS Name: 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethyl-4-quinolinecarboxylic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester
IUPAC NAME: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 6-bromo-2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-ethylquinoline-4-carboxylate
SYSTEMATIC NAME: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]phenyl]-6-bromanyl-8-ethyl-quinoline-4-carboxylate
MOLECULAR FORMULA: C34H25BrClN3O7
MOLECULAR WEIGHT: 702.9352
SMILES: CCC1=C2C(=CC(=C1)Br)C(=CC(=N2)C3=CC=C(C=C3)N4C(=O)C5CC=CCC5C4=O)C(=O)OCC(=O)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]
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Product OPENEYE NAME: [2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 6-bromo-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
CAS Name: 6-bromo-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]-4-quinolinecarboxylic acid [1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [1-(4-methoxyphenyl)-1-oxopropan-2-yl] 6-bromo-2-[4-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)phenyl]quinoline-4-carboxylate
SYSTEMATIC NAME: [1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 6-bromanyl-2-[4-[5-methyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]phenyl]quinoline-4-carboxylate
MOLECULAR FORMULA: C35H31BrN2O6
MOLECULAR WEIGHT: 655.53444
SMILES: CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5)Br)C(=C4)C(=O)OC(C)C(=O)C6=CC=C(C=C6)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H31ClN2O5
MOLECULAR WEIGHT: 619.10544
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=C(C=C4)N5C(=O)C6C7CC(C6C5=O)C(=C7)C)C
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Product OPENEYE NAME: [2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate
CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid [1-(3-chlorophenyl)-1-oxopropan-2-yl] ester
IUPAC NAME: [1-(3-chlorophenyl)-1-oxopropan-2-yl] 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate
SYSTEMATIC NAME: [1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C26H24ClNO4S
MOLECULAR WEIGHT: 481.99106
SMILES: CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC(=O)OC(C)C(=O)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 2-(4-chlorophenyl)-N-[[(4-propoxybenzoyl)amino]carbamothioyl]quinoline-4-carboxamide
CAS Name: 2-(4-chlorophenyl)-N-[[[oxo-(4-propoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]-4-quinolinecarboxamide
IUPAC NAME: 2-(4-chlorophenyl)-N-[[(4-propoxybenzoyl)amino]carbamothioyl]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-(4-chlorophenyl)-N-[[(4-propoxyphenyl)carbonylamino]carbamothioyl]quinoline-4-carboxamide
MOLECULAR FORMULA: C27H23ClN4O3S
MOLECULAR WEIGHT: 519.01452
SMILES: CCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)acetamide
CAS Name: 2-[3,5-bis(difluoromethyl)-1-pyrazolyl]-N-(1,2,4-triazol-4-yl)acetamide
IUPAC NAME: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)acetamide
SYSTEMATIC NAME: 2-[3,5-bis[bis(fluoranyl)methyl]pyrazol-1-yl]-N-(1,2,4-triazol-4-yl)ethanamide
MOLECULAR FORMULA: C9H8F4N6O
MOLECULAR WEIGHT: 292.193033
SMILES: C1=C(N(N=C1C(F)F)CC(=O)NN2C=NN=C2)C(F)F
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