Wednesday, July 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-methyl-1-(5-methylbenzimidazol-1-yl)sulfanyl-benzimidazole
CAS Name: 5-methyl-1-[(5-methyl-1-benzimidazolyl)thio]benzimidazole
IUPAC NAME: 5-methyl-1-(5-methylbenzimidazol-1-yl)sulfanylbenzimidazole
SYSTEMATIC NAME: 5-methyl-1-(5-methylbenzimidazol-1-yl)sulfanyl-benzimidazole
MOLECULAR FORMULA: C16H14N4S
MOLECULAR WEIGHT: 294.37416
SMILES: CC1=CC2=C(C=C1)N(C=N2)SN3C=NC4=C3C=CC(=C4)C
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Product OPENEYE NAME: 5-nitro-1-(5-nitrobenzimidazol-1-yl)sulfanyl-benzimidazole
CAS Name: 5-nitro-1-[(5-nitro-1-benzimidazolyl)thio]benzimidazole
IUPAC NAME: 5-nitro-1-(5-nitrobenzimidazol-1-yl)sulfanylbenzimidazole
SYSTEMATIC NAME: 5-nitro-1-(5-nitrobenzimidazol-1-yl)sulfanyl-benzimidazole
MOLECULAR FORMULA: C14H8N6O4S
MOLECULAR WEIGHT: 356.31612
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N=CN2SN3C=NC4=C3C=CC(=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 3-methyl-1-(3-methyl-2,5-dioxo-pyrrolidin-1-yl)sulfanyl-pyrrolidine-2,5-dione
CAS Name: 3-methyl-1-[(3-methyl-2,5-dioxo-1-pyrrolidinyl)thio]pyrrolidine-2,5-dione
IUPAC NAME: 3-methyl-1-(3-methyl-2,5-dioxopyrrolidin-1-yl)sulfanylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-methyl-1-[3-methyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]sulfanyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C10H12N2O4S
MOLECULAR WEIGHT: 256.27828
SMILES: CC1CC(=O)N(C1=O)SN2C(=O)CC(C2=O)C
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Product OPENEYE NAME: 5,6-dichloro-2-(5,6-dichloro-1,3-dioxo-isoindolin-2-yl)sulfanyl-isoindoline-1,3-dione
CAS Name: 5,6-dichloro-2-[(5,6-dichloro-1,3-dioxo-2-isoindolyl)thio]isoindole-1,3-dione
IUPAC NAME: 5,6-dichloro-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)sulfanylisoindole-1,3-dione
SYSTEMATIC NAME: 2-[5,6-bis(chloranyl)-1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-5,6-bis(chloranyl)isoindole-1,3-dione
MOLECULAR FORMULA: C16H4Cl4N2O4S
MOLECULAR WEIGHT: 462.09096
SMILES: C1=C2C(=CC(=C1Cl)Cl)C(=O)N(C2=O)SN3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl
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Product OPENEYE NAME: 5-chloro-1-(5-chlorobenzimidazol-1-yl)sulfanyl-benzimidazole
CAS Name: 5-chloro-1-[(5-chloro-1-benzimidazolyl)thio]benzimidazole
IUPAC NAME: 5-chloro-1-(5-chlorobenzimidazol-1-yl)sulfanylbenzimidazole
SYSTEMATIC NAME: 5-chloranyl-1-(5-chloranylbenzimidazol-1-yl)sulfanyl-benzimidazole
MOLECULAR FORMULA: C14H8Cl2N4S
MOLECULAR WEIGHT: 335.21112
SMILES: C1=CC2=C(C=C1Cl)N=CN2SN3C=NC4=C3C=CC(=C4)Cl
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Product OPENEYE NAME: 1-(5,5-dimethyl-2,4-dioxo-imidazolidin-1-yl)sulfanyl-5,5-dimethyl-imidazolidine-2,4-dione
CAS Name: 1-[(5,5-dimethyl-2,4-dioxo-1-imidazolidinyl)thio]-5,5-dimethylimidazolidine-2,4-dione
IUPAC NAME: 1-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)sulfanyl-5,5-dimethylimidazolidine-2,4-dione
SYSTEMATIC NAME: 1-[5,5-dimethyl-2,4-bis(oxidanylidene)imidazolidin-1-yl]sulfanyl-5,5-dimethyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C10H14N4O4S
MOLECULAR WEIGHT: 286.30756
SMILES: CC1(C(=O)NC(=O)N1SN2C(=O)NC(=O)C2(C)C)C
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Product OPENEYE NAME: 4-nitro-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)sulfanyl-isoindoline-1,3-dione
CAS Name: 4-nitro-2-[(4-nitro-1,3-dioxo-2-isoindolyl)thio]isoindole-1,3-dione
IUPAC NAME: 4-nitro-2-(4-nitro-1,3-dioxoisoindol-2-yl)sulfanylisoindole-1,3-dione
SYSTEMATIC NAME: 4-nitro-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-isoindole-1,3-dione
MOLECULAR FORMULA: C16H6N4O8S
MOLECULAR WEIGHT: 414.30584
SMILES: C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)SN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]
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Product OPENEYE NAME: 5-chloro-1-(5-chlorobenzotriazol-1-yl)sulfanyl-benzotriazole
CAS Name: 5-chloro-1-[(5-chloro-1-benzotriazolyl)thio]benzotriazole
IUPAC NAME: 5-chloro-1-(5-chlorobenzotriazol-1-yl)sulfanylbenzotriazole
SYSTEMATIC NAME: 5-chloranyl-1-(5-chloranylbenzotriazol-1-yl)sulfanyl-benzotriazole
MOLECULAR FORMULA: C12H6Cl2N6S
MOLECULAR WEIGHT: 337.18724
SMILES: C1=CC2=C(C=C1Cl)N=NN2SN3C4=C(C=C(C=C4)Cl)N=N3
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Product OPENEYE NAME: 5-methoxy-1-(5-methoxybenzimidazol-1-yl)sulfanyl-benzimidazole
CAS Name: 5-methoxy-1-[(5-methoxy-1-benzimidazolyl)thio]benzimidazole
IUPAC NAME: 5-methoxy-1-(5-methoxybenzimidazol-1-yl)sulfanylbenzimidazole
SYSTEMATIC NAME: 5-methoxy-1-(5-methoxybenzimidazol-1-yl)sulfanyl-benzimidazole
MOLECULAR FORMULA: C16H14N4O2S
MOLECULAR WEIGHT: 326.37296
SMILES: COC1=CC2=C(C=C1)N(C=N2)SN3C=NC4=C3C=CC(=C4)OC
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Product OPENEYE NAME: 1,3-bis(hydroxymethyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
CAS Name: 1,3-bis(hydroxymethyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
IUPAC NAME: 1,3-bis(hydroxymethyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 1,3-bis(hydroxymethyl)-5-(4-hydroxyphenyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H12N2O5
MOLECULAR WEIGHT: 252.22338
SMILES: C1=CC(=CC=C1C2C(=O)N(C(=O)N2CO)CO)O
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Product OPENEYE NAME: (Z)-2-acetamido-3-(1H-indol-2-yl)prop-2-enoic acid
CAS Name: (Z)-2-acetamido-3-(1H-indol-2-yl)-2-propenoic acid
IUPAC NAME: (Z)-2-acetamido-3-(1H-indol-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: (Z)-2-acetamido-3-(1H-indol-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: CC(=O)N/C(=C\C1=CC2=CC=CC=C2N1)/C(=O)O
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Product OPENEYE NAME: (E)-3-acetamido-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
CAS Name: (E)-3-acetamido-3-(3,4-dihydroxyphenyl)-2-propenoic acid
IUPAC NAME: (E)-3-acetamido-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-acetamido-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C11H11NO5
MOLECULAR WEIGHT: 237.20874
SMILES: CC(=O)N/C(=C/C(=O)O)/C1=CC(=C(C=C1)O)O
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Product OPENEYE NAME: triphenylphosphonium; (2E,5E)-undeca-2,5-diene; bromide
CAS Name: triphenylphosphonium; (2E,5E)-undeca-2,5-diene; bromide
IUPAC NAME: triphenylphosphanium; (2E,5E)-undeca-2,5-diene; bromide
SYSTEMATIC NAME: triphenylphosphanium; (2E,5E)-undeca-2,5-diene; bromide
MOLECULAR FORMULA: C29H36BrP
MOLECULAR WEIGHT: 495.473901
SMILES: CCCCC/C=C/C/C=C/C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
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Product OPENEYE NAME: oct-2-yne bromide
CAS Name: 2-octyne bromide
IUPAC NAME: oct-2-yne bromide
SYSTEMATIC NAME: oct-2-yne bromide
MOLECULAR FORMULA: C8H14Br-
MOLECULAR WEIGHT: 190.10076
SMILES: CCCCCC#CC.[Br-]
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Product OPENEYE NAME: 3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoic acid
CAS Name: 3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoic acid
IUPAC NAME: 3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoic acid
SYSTEMATIC NAME: 3-[[(4E)-pentadeca-4,14-dienyl]amino]benzoic acid
MOLECULAR FORMULA: C22H33NO2
MOLECULAR WEIGHT: 343.50292
SMILES: C=CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)O
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Product OPENEYE NAME: methyl 2-[2-(allylamino)phenyl]acetate
CAS Name: 2-[2-(prop-2-enylamino)phenyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[2-(prop-2-enylamino)phenyl]acetate
SYSTEMATIC NAME: methyl 2-[2-(prop-2-enylamino)phenyl]ethanoate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: COC(=O)CC1=CC=CC=C1NCC=C
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Product OPENEYE NAME: O1-ethyl O3-[3-[[(E)-tetradec-4-enyl]amino]benzoyl] 2-tert-butylpropanedioate
CAS Name: 2-tert-butylpropanedioic acid O1-ethyl ester O3-[oxo-[3-[[(E)-tetradec-4-enyl]amino]phenyl]methyl] ester
IUPAC NAME: 1-O-ethyl 3-O-[3-[[(E)-tetradec-4-enyl]amino]benzoyl] 2-tert-butylpropanedioate
SYSTEMATIC NAME: O1-ethyl O3-[3-[[(E)-tetradec-4-enyl]amino]phenyl]carbonyl 2-tert-butylpropanedioate
MOLECULAR FORMULA: C30H47NO5
MOLECULAR WEIGHT: 501.69788
SMILES: CCCCCCCCC/C=C/CCCNC1=CC=CC(=C1)C(=O)OC(=O)C(C(=O)OCC)C(C)(C)C
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Product OPENEYE NAME: (5E)-nona-5,8-dien-2-ol
CAS Name: (5E)-2-nona-5,8-dienol
IUPAC NAME: (5E)-nona-5,8-dien-2-ol
SYSTEMATIC NAME: (5E)-nona-5,8-dien-2-ol
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC(CC/C=C/CC=C)O
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