Wednesday, June 19, 2013

All Chemical Compounds Information



Product OPENEYE NAME: (6R,10S)-2-[[[(1R)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-6,10-dimethyl-2,4-diazaspiro[4.5]decane-1,3-dione
CAS Name: (6R,10S)-2-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-6,10-dimethyl-2,4-diazaspiro[4.5]decane-1,3-dione
IUPAC NAME: (6R,10S)-2-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-6,10-dimethyl-2,4-diazaspiro[4.5]decane-1,3-dione
SYSTEMATIC NAME: (6R,10S)-2-[[[(1R)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-6,10-dimethyl-2,4-diazaspiro[4.5]decane-1,3-dione
MOLECULAR FORMULA: C22H33N3O2
MOLECULAR WEIGHT: 371.51632
SMILES: C[C@@H]1CCC[C@@H](C12C(=O)N(C(=O)N2)CN[C@@H](C3=CC=CC=C3)C(C)(C)C)C
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Product OPENEYE NAME: (6S,10S)-2-[[[(1R)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-6,10-dimethyl-2,4-diazaspiro[4.5]decane-1,3-dione
CAS Name: (6S,10S)-2-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-6,10-dimethyl-2,4-diazaspiro[4.5]decane-1,3-dione
IUPAC NAME: (6S,10S)-2-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-6,10-dimethyl-2,4-diazaspiro[4.5]decane-1,3-dione
SYSTEMATIC NAME: (6S,10S)-2-[[[(1R)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-6,10-dimethyl-2,4-diazaspiro[4.5]decane-1,3-dione
MOLECULAR FORMULA: C22H33N3O2
MOLECULAR WEIGHT: 371.51632
SMILES: C[C@H]1CCC[C@@H](C12C(=O)N(C(=O)N2)CN[C@@H](C3=CC=CC=C3)C(C)(C)C)C
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Product OPENEYE NAME: [(1R)-2,2-dimethyl-1-phenyl-propyl]-[[4-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium
CAS Name: [(1R)-2,2-dimethyl-1-phenylpropyl]-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium
IUPAC NAME: [(1R)-2,2-dimethyl-1-phenylpropyl]-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium
SYSTEMATIC NAME: [(1R)-2,2-dimethyl-1-phenyl-propyl]-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium
MOLECULAR FORMULA: C21H27N4OS+
MOLECULAR WEIGHT: 383.53028
SMILES: CC(C)(C)[C@H](C1=CC=CC=C1)[NH2+]CN2C(=S)N(C=N2)C3=CC=CC=C3OC
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Product OPENEYE NAME: 2-[[[(1R)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
CAS Name: 2-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
IUPAC NAME: 2-[[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 2-[[[(1R)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C21H26N4OS
MOLECULAR WEIGHT: 382.52234
SMILES: CC(C)(C)[C@H](C1=CC=CC=C1)NCN2C(=S)N(C=N2)C3=CC=CC=C3OC
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Product OPENEYE NAME: [(1S)-2,2-dimethyl-1-phenyl-propyl]-[[4-(2-methoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]ammonium
CAS Name: [(1S)-2,2-dimethyl-1-phenylpropyl]-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium
IUPAC NAME: [(1S)-2,2-dimethyl-1-phenylpropyl]-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium
SYSTEMATIC NAME: [(1S)-2,2-dimethyl-1-phenyl-propyl]-[[4-(2-methoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]azanium
MOLECULAR FORMULA: C21H27N4OS+
MOLECULAR WEIGHT: 383.53028
SMILES: CC(C)(C)[C@@H](C1=CC=CC=C1)[NH2+]CN2C(=S)N(C=N2)C3=CC=CC=C3OC
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Product OPENEYE NAME: 2-[[[(1S)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
CAS Name: 2-[[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
IUPAC NAME: 2-[[[(1S)-2,2-dimethyl-1-phenylpropyl]amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 2-[[[(1S)-2,2-dimethyl-1-phenyl-propyl]amino]methyl]-4-(2-methoxyphenyl)-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C21H26N4OS
MOLECULAR WEIGHT: 382.52234
SMILES: CC(C)(C)[C@@H](C1=CC=CC=C1)NCN2C(=S)N(C=N2)C3=CC=CC=C3OC
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Product OPENEYE NAME: 2-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione
CAS Name: 2-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
IUPAC NAME: 2-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 2-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C21H23ClN7OS2+
MOLECULAR WEIGHT: 489.03662
SMILES: C[C@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)CN4C(=S)N=C(N4)C5=CC=CS5
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Product OPENEYE NAME: 2-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione
CAS Name: 2-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
IUPAC NAME: 2-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 2-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C21H22ClN7OS2
MOLECULAR WEIGHT: 488.02868
SMILES: C[C@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CCN(CC3)CN4C(=S)N=C(N4)C5=CC=CS5
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Product OPENEYE NAME: 2-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione
CAS Name: 2-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
IUPAC NAME: 2-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 2-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C21H23ClN7OS2+
MOLECULAR WEIGHT: 489.03662
SMILES: C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CC[NH+](CC3)CN4C(=S)N=C(N4)C5=CC=CS5
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Product OPENEYE NAME: 2-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione
CAS Name: 2-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
IUPAC NAME: 2-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
SYSTEMATIC NAME: 2-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione
MOLECULAR FORMULA: C21H22ClN7OS2
MOLECULAR WEIGHT: 488.02868
SMILES: C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CCN(CC3)CN4C(=S)N=C(N4)C5=CC=CS5
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Product OPENEYE NAME: 3-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]oxazolidine-2-thione
CAS Name: 3-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-4-iumyl]methyl]-2-oxazolidinethione
IUPAC NAME: 3-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazolidine-2-thione
SYSTEMATIC NAME: 3-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazolidine-2-thione
MOLECULAR FORMULA: C18H23ClN5O2S+
MOLECULAR WEIGHT: 408.92552
SMILES: C[C@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)[NH+]3CCN(CC3)CN4CCOC4=S
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Product OPENEYE NAME: 3-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]oxazolidine-2-thione
CAS Name: 3-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-2-oxazolidinethione
IUPAC NAME: 3-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
SYSTEMATIC NAME: 3-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
MOLECULAR FORMULA: C18H22ClN5O2S
MOLECULAR WEIGHT: 407.91758
SMILES: C[C@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CCN(CC3)CN4CCOC4=S
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Product OPENEYE NAME: 3-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]oxazolidine-2-thione
CAS Name: 3-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-4-iumyl]methyl]-2-oxazolidinethione
IUPAC NAME: 3-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazolidine-2-thione
SYSTEMATIC NAME: 3-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-1,3-oxazolidine-2-thione
MOLECULAR FORMULA: C18H23ClN5O2S+
MOLECULAR WEIGHT: 408.92552
SMILES: C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)[NH+]3CCN(CC3)CN4CCOC4=S
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Product OPENEYE NAME: 3-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]oxazolidine-2-thione
CAS Name: 3-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazinyl]methyl]-2-oxazolidinethione
IUPAC NAME: 3-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
SYSTEMATIC NAME: 3-[[4-[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]-1,3-oxazolidine-2-thione
MOLECULAR FORMULA: C18H22ClN5O2S
MOLECULAR WEIGHT: 407.91758
SMILES: C[C@@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CCN(CC3)CN4CCOC4=S
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Product OPENEYE NAME: 8-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
CAS Name: 8-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperazin-4-iumyl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
IUPAC NAME: 8-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
SYSTEMATIC NAME: 8-[[4-[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-4-ium-1-yl]methyl]-8-azaspiro[4.4]nonane-7,9-dione
MOLECULAR FORMULA: C23H29ClN5O3+
MOLECULAR WEIGHT: 458.96106
SMILES: C[C@H](C1=NC(=NO1)C2=CC=C(C=C2)Cl)[NH+]3CCN(CC3)CN4C(=O)CC5(C4=O)CCCC5
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