Wednesday, November 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methyl-pent-3-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,
CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylpent-3-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,1
IUPAC NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylpent-3-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,1
SYSTEMATIC NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-pent-3-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14
MOLECULAR FORMULA: C61H109N11O12
MOLECULAR WEIGHT: 1188.58466
SMILES: CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
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Product OPENEYE NAME: [4-[[[2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl] methanesulfonate
CAS Name: methanesulfonic acid [4-[[[2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenyl] ester
IUPAC NAME: [4-[[[2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl] methanesulfonate
SYSTEMATIC NAME: [4-[[[2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl] methanesulfonate
MOLECULAR FORMULA: C20H18F3N3O5S2
MOLECULAR WEIGHT: 501.49923
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=C(C=C3)OS(=O)(=O)C)C(F)(F)F
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Product OPENEYE NAME: 6-chloro-2-(4-methylsulfonylphenyl)-N-(p-tolylmethyl)pyrimidin-4-amine
CAS Name: 6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)-4-pyrimidinamine
IUPAC NAME: 6-chloro-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 6-chloranyl-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylphenyl)pyrimidin-4-amine
MOLECULAR FORMULA: C19H18ClN3O2S
MOLECULAR WEIGHT: 387.88312
SMILES: CC1=CC=C(C=C1)CNC2=CC(=NC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)Cl
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Product OPENEYE NAME: 4-[[[2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenol
CAS Name: 4-[[[2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinyl]amino]methyl]phenol
IUPAC NAME: 4-[[[2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenol
SYSTEMATIC NAME: 4-[[[2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenol
MOLECULAR FORMULA: C19H16F3N3O3S
MOLECULAR WEIGHT: 423.40885
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=C(C=C3)O)C(F)(F)F
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Product OPENEYE NAME: N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: N-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C20H16F3N5O2S
MOLECULAR WEIGHT: 447.43355
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=NC4=CC=CC=C4N3)C(F)(F)F
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-pentyl-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-pentyl-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-pentyl-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-pentyl-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C17H20F3N3O2S
MOLECULAR WEIGHT: 387.41981
SMILES: CCCCCNC1=NC(=NC(=C1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C
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Product OPENEYE NAME: 2-(4-methylsulfonylphenyl)-N-(2-naphthylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CAS Name: 2-(4-methylsulfonylphenyl)-N-(2-naphthalenylmethyl)-6-(trifluoromethyl)-4-pyrimidinamine
IUPAC NAME: 2-(4-methylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-(4-methylsulfonylphenyl)-N-(naphthalen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C23H18F3N3O2S
MOLECULAR WEIGHT: 457.46813
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC4=CC=CC=C4C=C3)C(F)(F)F
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Product OPENEYE NAME: 3-bromo-2,7-dihydroxy-chromen-4-one
CAS Name: 3-bromo-2,7-dihydroxy-1-benzopyran-4-one
IUPAC NAME: 3-bromo-2,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 3-bromanyl-2,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C9H5BrO4
MOLECULAR WEIGHT: 257.0376
SMILES: C1=CC2=C(C=C1O)OC(=C(C2=O)Br)O
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Product OPENEYE NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanol
CAS Name: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanol
IUPAC NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanol
SYSTEMATIC NAME: 2-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxy]ethanol
MOLECULAR FORMULA: C10H15N3O2S
MOLECULAR WEIGHT: 241.31
SMILES: CN1CCC=C(C1)C2=NSN=C2OCCO
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Product OPENEYE NAME: (2E)-N-[2-(2-hydroxyethoxy)ethyl]-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxamide
CAS Name: (2E)-N-[2-(2-hydroxyethoxy)ethyl]-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3-benzoxazole-4-carboxamide
IUPAC NAME: (2E)-N-[2-(2-hydroxyethoxy)ethyl]-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxamide
SYSTEMATIC NAME: (2E)-N-[2-(2-hydroxyethyloxy)ethyl]-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxamide
MOLECULAR FORMULA: C18H18N2O5
MOLECULAR WEIGHT: 342.34592
SMILES: C1=C/C(=C\2/NC3=C(C=CC=C3O2)C(=O)NCCOCCO)/C(=O)C=C1
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Product OPENEYE NAME: [2-[6-[(2-iodophenyl)methylamino]purin-9-yl]cyclopent-3-en-1-yl]methanol
CAS Name: [2-[6-[(2-iodophenyl)methylamino]-9-purinyl]-1-cyclopent-3-enyl]methanol
IUPAC NAME: [2-[6-[(2-iodophenyl)methylamino]purin-9-yl]cyclopent-3-en-1-yl]methanol
SYSTEMATIC NAME: [2-[6-[(2-iodanylphenyl)methylamino]purin-9-yl]cyclopent-3-en-1-yl]methanol
MOLECULAR FORMULA: C18H18IN5O
MOLECULAR WEIGHT: 447.27289
SMILES: C1C=CC(C1CO)N2C=NC3=C2N=CN=C3NCC4=CC=CC=C4I
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Product OPENEYE NAME: (2E)-N-(6-hydroxyhexyl)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxamide
CAS Name: (2E)-N-(6-hydroxyhexyl)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3-benzoxazole-4-carboxamide
IUPAC NAME: (2E)-N-(6-hydroxyhexyl)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxamide
SYSTEMATIC NAME: (2E)-N-(6-oxidanylhexyl)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3-benzoxazole-4-carboxamide
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: C1=C/C(=C\2/NC3=C(C=CC=C3O2)C(=O)NCCCCCCO)/C(=O)C=C1
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Product OPENEYE NAME: [2-[6-(cyclopentylamino)purin-9-yl]cyclopent-3-en-1-yl]methanol
CAS Name: [2-[6-(cyclopentylamino)-9-purinyl]-1-cyclopent-3-enyl]methanol
IUPAC NAME: [2-[6-(cyclopentylamino)purin-9-yl]cyclopent-3-en-1-yl]methanol
SYSTEMATIC NAME: [2-[6-(cyclopentylamino)purin-9-yl]cyclopent-3-en-1-yl]methanol
MOLECULAR FORMULA: C16H21N5O
MOLECULAR WEIGHT: 299.37084
SMILES: C1CCC(C1)NC2=NC=NC3=C2N=CN3C4C=CCC4CO
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Product OPENEYE NAME: tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CAS Name: (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H28F7NO4
MOLECULAR WEIGHT: 551.493642
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](CN([C@H]2CO)C(=O)OC(C)(C)C)C3=CC=C(C=C3)F
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Product OPENEYE NAME: tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
CAS Name: (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenyl-pyrrolidine-1-carboxylate
MOLECULAR FORMULA: C26H29F6NO4
MOLECULAR WEIGHT: 533.503179
SMILES: C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@H](CN([C@H]2CO)C(=O)OC(C)(C)C)C3=CC=CC=C3
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Product OPENEYE NAME: ethyl 3-[3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl-[1-(4-pyridyl)-4-piperidyl]amino]propanoate
CAS Name: 3-[[3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-oxopropyl]-(1-pyridin-4-yl-4-piperidinyl)amino]propanoic acid ethyl ester
IUPAC NAME: ethyl 3-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]propanoate
SYSTEMATIC NAME: ethyl 3-[3-(6-chloranylnaphthalen-2-yl)sulfonylpropanoyl-(1-pyridin-4-ylpiperidin-4-yl)amino]propanoate
MOLECULAR FORMULA: C28H32ClN3O5S
MOLECULAR WEIGHT: 558.08878
SMILES: CCOC(=O)CCN(C1CCN(CC1)C2=CC=NC=C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl
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Product OPENEYE NAME: N-(2-aminoethyl)-3-[(6-chloro-2-naphthyl)sulfonyl]-N-[1-(4-pyridyl)-4-piperidyl]propanamide
CAS Name: N-(2-aminoethyl)-3-[(6-chloro-2-naphthalenyl)sulfonyl]-N-(1-pyridin-4-yl-4-piperidinyl)propanamide
IUPAC NAME: N-(2-aminoethyl)-3-(6-chloronaphthalen-2-yl)sulfonyl-N-(1-pyridin-4-ylpiperidin-4-yl)propanamide
SYSTEMATIC NAME: N-(2-azanylethyl)-3-(6-chloranylnaphthalen-2-yl)sulfonyl-N-(1-pyridin-4-ylpiperidin-4-yl)propanamide
MOLECULAR FORMULA: C25H29ClN4O3S
MOLECULAR WEIGHT: 501.04076
SMILES: C1CN(CCC1N(CCN)C(=O)CCS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C4=CC=NC=C4
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Product OPENEYE NAME: 2-(2-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
CAS Name: 2-(2-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
IUPAC NAME: 2-(2-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
SYSTEMATIC NAME: 2-(2-chlorophenyl)-1,3-bis[(4-methoxyphenyl)methyl]imidazolidine
MOLECULAR FORMULA: C25H27ClN2O2
MOLECULAR WEIGHT: 422.94708
SMILES: COC1=CC=C(C=C1)CN2CCN(C2C3=CC=CC=C3Cl)CC4=CC=C(C=C4)OC
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Product OPENEYE NAME: 4-[[4-(trifluoromethyl)phenyl]iminomethyl]benzenesulfonamide
CAS Name: 4-[[4-(trifluoromethyl)phenyl]iminomethyl]benzenesulfonamide
IUPAC NAME: 4-[[4-(trifluoromethyl)phenyl]iminomethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[[4-(trifluoromethyl)phenyl]iminomethyl]benzenesulfonamide
MOLECULAR FORMULA: C14H11F3N2O2S
MOLECULAR WEIGHT: 328.30955
SMILES: C1=CC(=CC=C1C=NC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)N
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Product OPENEYE NAME: 4-[[4-(dimethylamino)phenyl]iminomethyl]benzenesulfonamide
CAS Name: 4-[[4-(dimethylamino)phenyl]iminomethyl]benzenesulfonamide
IUPAC NAME: 4-[[4-(dimethylamino)phenyl]iminomethyl]benzenesulfonamide
SYSTEMATIC NAME: 4-[[4-(dimethylamino)phenyl]iminomethyl]benzenesulfonamide
MOLECULAR FORMULA: C15H17N3O2S
MOLECULAR WEIGHT: 303.37938
SMILES: CN(C)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)S(=O)(=O)N
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Product OPENEYE NAME: 1-benzyl-N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CAS Name: N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
IUPAC NAME: 1-benzyl-N-[2-(4-chlorophenyl)ethyl]-6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]-6,7-bis(oxidanyl)-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
MOLECULAR FORMULA: C25H25ClN2O2S
MOLECULAR WEIGHT: 452.9962
SMILES: C1CN(C(C2=CC(=C(C=C21)O)O)CC3=CC=CC=C3)C(=S)NCCC4=CC=C(C=C4)Cl
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