Sunday, July 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (2R,4aR,7aS)-2-(4-methoxyphenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,7aS)-2-(4-methoxyphenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,7aS)-2-(4-methoxyphenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,7aS)-2-(4-methoxyphenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C14H17NO3
MOLECULAR WEIGHT: 247.28968
SMILES: COC1=CC=C(C=C1)[C@@H]2NC(=O)[C@@H]3CCC[C@@H]3O2
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Product OPENEYE NAME: (2R,4aR,7aS)-2-(2-furyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,7aS)-2-(2-furanyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,7aS)-2-(furan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,7aS)-2-(furan-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C11H13NO3
MOLECULAR WEIGHT: 207.22582
SMILES: C1C[C@@H]2[C@H](C1)O[C@@H](NC2=O)C3=CC=CO3
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Product OPENEYE NAME: (2R,4aR,7aS)-2-phenyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,7aS)-2-phenyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,7aS)-2-phenyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,7aS)-2-phenyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: C1C[C@@H]2[C@H](C1)O[C@@H](NC2=O)C3=CC=CC=C3
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Product OPENEYE NAME: (2R,4aR,7aS)-2-(4-nitrophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,7aS)-2-(4-nitrophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,7aS)-2-(4-nitrophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,7aS)-2-(4-nitrophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C13H14N2O4
MOLECULAR WEIGHT: 262.26126
SMILES: C1C[C@@H]2[C@H](C1)O[C@@H](NC2=O)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (2R,4aR,7aS)-2-(3-fluorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,7aS)-2-(3-fluorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,7aS)-2-(3-fluorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,7aS)-2-(3-fluorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C13H14FNO2
MOLECULAR WEIGHT: 235.254163
SMILES: C1C[C@@H]2[C@H](C1)O[C@@H](NC2=O)C3=CC(=CC=C3)F
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Product OPENEYE NAME: (2R,4aR,7aS)-2-(3,4-dichlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,7aS)-2-(3,4-dichlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,7aS)-2-(3,4-dichlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,7aS)-2-(3,4-dichlorophenyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C13H13Cl2NO2
MOLECULAR WEIGHT: 286.15382
SMILES: C1C[C@@H]2[C@H](C1)O[C@@H](NC2=O)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: (2R,4aR,8aS)-2-(3-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,8aS)-2-(3-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,8aS)-2-(3-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,8aS)-2-(3-chlorophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C14H16ClNO2
MOLECULAR WEIGHT: 265.73534
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N[C@H](O2)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: (2R,4aR,8aS)-2-(2-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,8aS)-2-(2-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,8aS)-2-(2-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,8aS)-2-(2-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N[C@H](O2)C3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: (2R,4aR,8aS)-2-(3-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,8aS)-2-(3-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,8aS)-2-(3-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,8aS)-2-(3-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N[C@H](O2)C3=CC(=CC=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (2R,4aR,8aS)-2-(4-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,8aS)-2-(4-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,8aS)-2-(4-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,8aS)-2-(4-nitrophenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C14H16N2O4
MOLECULAR WEIGHT: 276.28784
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N[C@H](O2)C3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: (2R,4aR,9aS)-2-phenyl-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
CAS Name: (2R,4aR,9aS)-2-phenyl-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
IUPAC NAME: (2R,4aR,9aS)-2-phenyl-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
SYSTEMATIC NAME: (2R,4aR,9aS)-2-phenyl-3,4a,5,6,7,8,9,9a-octahydro-2H-cyclohepta[e][1,3]oxazin-4-one
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: C1CC[C@@H]2[C@H](CC1)O[C@@H](NC2=O)C3=CC=CC=C3
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Product OPENEYE NAME: 6,8-dimethyl-3-phenyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
CAS Name: 6,8-dimethyl-3-phenyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
IUPAC NAME: 6,8-dimethyl-3-phenyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
SYSTEMATIC NAME: 6,8-dimethyl-3-phenyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
MOLECULAR FORMULA: C13H12N4O2S
MOLECULAR WEIGHT: 288.32498
SMILES: CN1C2=C(C(=O)N(C1=O)C)SC(=NN2)C3=CC=CC=C3
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Product OPENEYE NAME: 3-(4-bromophenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
CAS Name: 3-(4-bromophenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
IUPAC NAME: 3-(4-bromophenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
SYSTEMATIC NAME: 3-(4-bromophenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
MOLECULAR FORMULA: C13H11BrN4O2S
MOLECULAR WEIGHT: 367.22104
SMILES: CN1C2=C(C(=O)N(C1=O)C)SC(=NN2)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 3-(4-chlorophenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
CAS Name: 3-(4-chlorophenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
IUPAC NAME: 3-(4-chlorophenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
SYSTEMATIC NAME: 3-(4-chlorophenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
MOLECULAR FORMULA: C13H11ClN4O2S
MOLECULAR WEIGHT: 322.77004
SMILES: CN1C2=C(C(=O)N(C1=O)C)SC(=NN2)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 6,8-dimethyl-3-(p-tolyl)-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
CAS Name: 6,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
IUPAC NAME: 6,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
SYSTEMATIC NAME: 6,8-dimethyl-3-(4-methylphenyl)-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
MOLECULAR FORMULA: C14H14N4O2S
MOLECULAR WEIGHT: 302.35156
SMILES: CC1=CC=C(C=C1)C2=NNC3=C(S2)C(=O)N(C(=O)N3C)C
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Product OPENEYE NAME: 3-(4-methoxyphenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
CAS Name: 3-(4-methoxyphenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
IUPAC NAME: 3-(4-methoxyphenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-6,8-dimethyl-1H-pyrimido[4,5-e][1,3,4]thiadiazine-5,7-dione
MOLECULAR FORMULA: C14H14N4O3S
MOLECULAR WEIGHT: 318.35096
SMILES: CN1C2=C(C(=O)N(C1=O)C)SC(=NN2)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 4,6-dimethyl-2-phenyl-thiazolo[4,5-d]pyrimidine-5,7-dione
CAS Name: 4,6-dimethyl-2-phenylthiazolo[4,5-d]pyrimidine-5,7-dione
IUPAC NAME: 4,6-dimethyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 4,6-dimethyl-2-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C13H11N3O2S
MOLECULAR WEIGHT: 273.31034
SMILES: CN1C2=C(C(=O)N(C1=O)C)SC(=N2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-(4-bromophenyl)-4,6-dimethyl-thiazolo[4,5-d]pyrimidine-5,7-dione
CAS Name: 2-(4-bromophenyl)-4,6-dimethylthiazolo[4,5-d]pyrimidine-5,7-dione
IUPAC NAME: 2-(4-bromophenyl)-4,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 2-(4-bromophenyl)-4,6-dimethyl-[1,3]thiazolo[4,5-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C13H10BrN3O2S
MOLECULAR WEIGHT: 352.2064
SMILES: CN1C2=C(C(=O)N(C1=O)C)SC(=N2)C3=CC=C(C=C3)Br
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