Friday, July 27, 2012

All Chemical Compounds Information



Product OPENEYE NAME: 1-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]-3-(p-tolyl)thiourea
CAS Name: 1-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1-oxoethyl]amino]-3-(4-methylphenyl)thiourea
IUPAC NAME: 1-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]-3-(4-methylphenyl)thiourea
SYSTEMATIC NAME: 1-[2-[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanoylamino]-3-(4-methylphenyl)thiourea
MOLECULAR FORMULA: C29H37N3O3S
MOLECULAR WEIGHT: 507.68738
SMILES: CC1=CC=C(C=C1)NC(=S)NNC(=O)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)OC)C)O
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Product OPENEYE NAME: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
CAS Name: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C28H33N3O2S
MOLECULAR WEIGHT: 475.64552
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC4=NNC(=S)N4C5=CC=CC=C5)O)CCC6=C3C=CC(=C6)OC
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Product OPENEYE NAME: 1-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]-3-(4-methoxyphenyl)thiourea
CAS Name: 1-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1-oxoethyl]amino]-3-(4-methoxyphenyl)thiourea
IUPAC NAME: 1-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]-3-(4-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1-[2-[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanoylamino]-3-(4-methoxyphenyl)thiourea
MOLECULAR FORMULA: C29H37N3O4S
MOLECULAR WEIGHT: 523.68678
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC(=O)NNC(=S)NC4=CC=C(C=C4)OC)O)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: 1-(4-fluorophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]thiourea
CAS Name: 1-(4-fluorophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-(4-fluorophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]thiourea
SYSTEMATIC NAME: 1-(4-fluorophenyl)-3-[2-[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanoylamino]thiourea
MOLECULAR FORMULA: C28H34FN3O3S
MOLECULAR WEIGHT: 511.651263
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC(=O)NNC(=S)NC4=CC=C(C=C4)F)O)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]thiourea
CAS Name: 1-(4-chlorophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-(4-chlorophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-[2-[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanoylamino]thiourea
MOLECULAR FORMULA: C28H34ClN3O3S
MOLECULAR WEIGHT: 528.10586
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC(=O)NNC(=S)NC4=CC=C(C=C4)Cl)O)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: 1-(4-bromophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]thiourea
CAS Name: 1-(4-bromophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-1-oxoethyl]amino]thiourea
IUPAC NAME: 1-(4-bromophenyl)-3-[[2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetyl]amino]thiourea
SYSTEMATIC NAME: 1-(4-bromophenyl)-3-[2-[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanoylamino]thiourea
MOLECULAR FORMULA: C28H34BrN3O3S
MOLECULAR WEIGHT: 572.55686
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC(=O)NNC(=S)NC4=CC=C(C=C4)Br)O)CCC5=C3C=CC(=C5)OC
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Product OPENEYE NAME: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(p-tolyl)-1H-1,2,4-triazole-5-thione
CAS Name: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C29H35N3O2S
MOLECULAR WEIGHT: 489.6721
SMILES: CC1=CC=C(C=C1)N2C(=NNC2=S)C[C@@]3(CC[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6=C5C=CC(=C6)OC)C)O
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Product OPENEYE NAME: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CAS Name: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C29H35N3O3S
MOLECULAR WEIGHT: 505.6715
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC4=NNC(=S)N4C5=CC=C(C=C5)OC)O)CCC6=C3C=CC(=C6)OC
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Product OPENEYE NAME: 4-(4-fluorophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-(4-fluorophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(4-fluorophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(4-fluorophenyl)-3-[[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C28H32FN3O2S
MOLECULAR WEIGHT: 493.635983
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC4=NNC(=S)N4C5=CC=C(C=C5)F)O)CCC6=C3C=CC(=C6)OC
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Product OPENEYE NAME: 4-(4-chlorophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-(4-chlorophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(4-chlorophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(4-chlorophenyl)-3-[[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C28H32ClN3O2S
MOLECULAR WEIGHT: 510.09058
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC4=NNC(=S)N4C5=CC=C(C=C5)Cl)O)CCC6=C3C=CC(=C6)OC
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Product OPENEYE NAME: 4-(4-bromophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
CAS Name: 4-(4-bromophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(4-bromophenyl)-3-[[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-(4-bromophenyl)-3-[[(8R,9S,13S,14S,17R)-3-methoxy-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]methyl]-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C28H32BrN3O2S
MOLECULAR WEIGHT: 554.54158
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC4=NNC(=S)N4C5=CC=C(C=C5)Br)O)CCC6=C3C=CC(=C6)OC
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Product OPENEYE NAME: methyl 2-(2,4,5-trimethylphenoxy)acetate
CAS Name: 2-(2,4,5-trimethylphenoxy)acetic acid methyl ester
IUPAC NAME: methyl 2-(2,4,5-trimethylphenoxy)acetate
SYSTEMATIC NAME: methyl 2-(2,4,5-trimethylphenoxy)ethanoate
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC1=CC(=C(C=C1C)OCC(=O)OC)C
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