Wednesday, May 15, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2R)-1-[(4-methoxyphenyl)methoxy]-3-[4-(methylamino)quinazolin-2-yl]sulfanyl-propan-2-ol
CAS Name: (2R)-1-[(4-methoxyphenyl)methoxy]-3-[[4-(methylamino)-2-quinazolinyl]thio]-2-propanol
IUPAC NAME: (2R)-1-[(4-methoxyphenyl)methoxy]-3-[4-(methylamino)quinazolin-2-yl]sulfanylpropan-2-ol
SYSTEMATIC NAME: (2R)-1-[(4-methoxyphenyl)methoxy]-3-[4-(methylamino)quinazolin-2-yl]sulfanyl-propan-2-ol
MOLECULAR FORMULA: C20H23N3O3S
MOLECULAR WEIGHT: 385.47992
SMILES: CNC1=NC(=NC2=CC=CC=C21)SC[C@@H](COCC3=CC=C(C=C3)OC)O
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Product OPENEYE NAME: 1-[4-[(2S)-2-hydroxy-3-[4-(methylamino)quinazolin-2-yl]sulfanyl-propoxy]-3-methoxy-phenyl]ethanone
CAS Name: 1-[4-[(2S)-2-hydroxy-3-[[4-(methylamino)-2-quinazolinyl]thio]propoxy]-3-methoxyphenyl]ethanone
IUPAC NAME: 1-[4-[(2S)-2-hydroxy-3-[4-(methylamino)quinazolin-2-yl]sulfanylpropoxy]-3-methoxyphenyl]ethanone
SYSTEMATIC NAME: 1-[3-methoxy-4-[(2S)-3-[4-(methylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone
MOLECULAR FORMULA: C21H23N3O4S
MOLECULAR WEIGHT: 413.49002
SMILES: CC(=O)C1=CC(=C(C=C1)OC[C@@H](CSC2=NC3=CC=CC=C3C(=N2)NC)O)OC
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Product OPENEYE NAME: 1-[4-[(2R)-2-hydroxy-3-[4-(methylamino)quinazolin-2-yl]sulfanyl-propoxy]-3-methoxy-phenyl]ethanone
CAS Name: 1-[4-[(2R)-2-hydroxy-3-[[4-(methylamino)-2-quinazolinyl]thio]propoxy]-3-methoxyphenyl]ethanone
IUPAC NAME: 1-[4-[(2R)-2-hydroxy-3-[4-(methylamino)quinazolin-2-yl]sulfanylpropoxy]-3-methoxyphenyl]ethanone
SYSTEMATIC NAME: 1-[3-methoxy-4-[(2R)-3-[4-(methylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]phenyl]ethanone
MOLECULAR FORMULA: C21H23N3O4S
MOLECULAR WEIGHT: 413.49002
SMILES: CC(=O)C1=CC(=C(C=C1)OC[C@H](CSC2=NC3=CC=CC=C3C(=N2)NC)O)OC
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Product OPENEYE NAME: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R)-1-methylbutyl]acetamide
CAS Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(2R)-pentan-2-yl]acetamide
IUPAC NAME: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(2R)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[(2R)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C15H19ClN2O3
MOLECULAR WEIGHT: 310.77596
SMILES: CCC[C@@H](C)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)Cl
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Product OPENEYE NAME: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-methylbutyl]acetamide
CAS Name: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(2S)-pentan-2-yl]acetamide
IUPAC NAME: 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(2S)-pentan-2-yl]acetamide
SYSTEMATIC NAME: 2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[(2S)-pentan-2-yl]ethanamide
MOLECULAR FORMULA: C15H19ClN2O3
MOLECULAR WEIGHT: 310.77596
SMILES: CCC[C@H](C)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)Cl
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Product OPENEYE NAME: N-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
CAS Name: N-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
IUPAC NAME: N-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
SYSTEMATIC NAME: N-(4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
MOLECULAR FORMULA: C15H16N6O2S
MOLECULAR WEIGHT: 344.39154
SMILES: C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)NC(=O)CCN4C=NC=N4
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Product OPENEYE NAME: N-(4-methoxy-2-nitro-phenyl)spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carboxamide
CAS Name: N-(4-methoxy-2-nitrophenyl)-7-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]carboxamide
IUPAC NAME: N-(4-methoxy-2-nitrophenyl)spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carboxamide
SYSTEMATIC NAME: N-(4-methoxy-2-nitro-phenyl)spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carboxamide
MOLECULAR FORMULA: C23H25N3O6
MOLECULAR WEIGHT: 439.4611
SMILES: COC1=CC(=C(C=C1)NC(=O)N2CC3=CC4=C(C=C3C5(C2)CCCC5)OCCO4)[N+](=O)[O-]
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Product OPENEYE NAME: 1-(azocan-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
CAS Name: 1-(1-azocanyl)-3-(1,2,4-triazol-1-yl)-1-propanone
IUPAC NAME: 1-(azocan-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(azocan-1-yl)-3-(1,2,4-triazol-1-yl)propan-1-one
MOLECULAR FORMULA: C12H20N4O
MOLECULAR WEIGHT: 236.3134
SMILES: C1CCCN(CCC1)C(=O)CCN2C=NC=N2
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Product OPENEYE NAME: azocan-1-yl-(6-methyl-3-pyridyl)methanone
CAS Name: 1-azocanyl-(6-methyl-3-pyridinyl)methanone
IUPAC NAME: azocan-1-yl-(6-methylpyridin-3-yl)methanone
SYSTEMATIC NAME: azocan-1-yl-(6-methylpyridin-3-yl)methanone
MOLECULAR FORMULA: C14H20N2O
MOLECULAR WEIGHT: 232.3214
SMILES: CC1=NC=C(C=C1)C(=O)N2CCCCCCC2
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Product OPENEYE NAME: 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CAS Name: 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide
IUPAC NAME: 4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
SYSTEMATIC NAME: 4-[(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-fluorophenyl)piperazine-1-carboxamide
MOLECULAR FORMULA: C19H18ClFN4O5S
MOLECULAR WEIGHT: 468.886423
SMILES: C1CN(CCN1C(=O)NC2=CC=C(C=C2)F)S(=O)(=O)C3=C(C=C4C(=C3)OCC(=O)N4)Cl
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Product OPENEYE NAME: (2R,6R)-2,6-dimethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
CAS Name: (2R,6R)-2,6-dimethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-4-morpholinesulfonamide
IUPAC NAME: (2R,6R)-2,6-dimethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
SYSTEMATIC NAME: (2R,6R)-2,6-dimethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
MOLECULAR FORMULA: C16H23N5O3S
MOLECULAR WEIGHT: 365.45052
SMILES: C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)N[C@@H](C)C2=CC=C(C=C2)N3C=NC=N3
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Product OPENEYE NAME: (2S,6R)-2,6-dimethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
CAS Name: (2S,6R)-2,6-dimethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-4-morpholinesulfonamide
IUPAC NAME: (2S,6R)-2,6-dimethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
SYSTEMATIC NAME: (2S,6R)-2,6-dimethyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]morpholine-4-sulfonamide
MOLECULAR FORMULA: C16H23N5O3S
MOLECULAR WEIGHT: 365.45052
SMILES: C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)N[C@@H](C)C2=CC=C(C=C2)N3C=NC=N3
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