CAS RN: 93-95-8
CAS Name: 2-[4-[bis[[(2,5-dioxo-1-pyrrolyl)-oxomethyl]amino]methyl]phenoxy]acetic acid
OPENEYE Name: 2-[4-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]phenoxy]acetic acid
IUPAC Name: 2-[4-[bis[(2,5-dioxopyrrole-1-carbonyl)amino]methyl]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-[bis[[2,5-bis(oxidanylidene)pyrrol-1-yl]carbonylamino]methyl]phenoxy]ethanoic acid
MOLECULAR FORMULA: C19H14N4O9
MOLECULAR WEIGHT: 442.33586
SMILES: C1=CC(=CC=C1C(NC(=O)N2C(=O)C=CC2=O)NC(=O)N3C(=O)C=CC3=O)OCC(=O)O
Structure:
CAS RN: 94-00-8
CAS Name: N-[[[(2,5-dioxo-1-pyrrolyl)-oxomethyl]amino]-(1-naphthalenyl)methyl]-2,5-dioxo-1-pyrrolecarboxamide
OPENEYE Name: N-[[(2,5-dioxopyrrole-1-carbonyl)amino]-(1-naphthyl)methyl]-2,5-dioxo-pyrrole-1-carboxamide
IUPAC Name: N-[[(2,5-dioxopyrrole-1-carbonyl)amino]-naphthalen-1-ylmethyl]-2,5-dioxopyrrole-1-carboxamide
SYSTEMATIC NAME: N-[[[2,5-bis(oxidanylidene)pyrrol-1-yl]carbonylamino]-naphthalen-1-yl-methyl]-2,5-bis(oxidanylidene)pyrrole-1-carboxamide
MOLECULAR FORMULA: C21H14N4O6
MOLECULAR WEIGHT: 418.35906
SMILES: C1=CC=C2C(=C1)C=CC=C2C(NC(=O)N3C(=O)C=CC3=O)NC(=O)N4C(=O)C=CC4=O
Structure:
CAS RN: 87780-67-4
CAS Name: 3,4-dichloro-1-[5-(3,4-dichloro-2,5-dioxo-1-pyrrolyl)-1-naphthalenyl]pyrrole-2,5-dione
OPENEYE Name: 3,4-dichloro-1-[5-(3,4-dichloro-2,5-dioxo-pyrrol-1-yl)-1-naphthyl]pyrrole-2,5-dione
IUPAC Name: 3,4-dichloro-1-[5-(3,4-dichloro-2,5-dioxopyrrol-1-yl)naphthalen-1-yl]pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[5-[3,4-bis(chloranyl)-2,5-bis(oxidanylidene)pyrrol-1-yl]naphthalen-1-yl]-3,4-bis(chloranyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C18H6Cl4N2O4
MOLECULAR WEIGHT: 456.06324
SMILES: C1=CC2=C(C=CC=C2N3C(=O)C(=C(C3=O)Cl)Cl)C(=C1)N4C(=O)C(=C(C4=O)Cl)Cl
Structure:
CAS RN: 6959-96-2
CAS Name: 3-methyl-5-[[5-[(4-methyl-5-oxo-2-furanylidene)amino]-1-naphthalenyl]imino]-2-furanone
OPENEYE Name: 3-methyl-5-[[5-[(4-methyl-5-oxo-2-furylidene)amino]-1-naphthyl]imino]furan-2-one
IUPAC Name: 3-methyl-5-[5-[(4-methyl-5-oxofuran-2-ylidene)amino]naphthalen-1-yl]iminofuran-2-one
SYSTEMATIC NAME: 3-methyl-5-[5-[(4-methyl-5-oxidanylidene-furan-2-ylidene)amino]naphthalen-1-yl]imino-furan-2-one
MOLECULAR FORMULA: C20H14N2O4
MOLECULAR WEIGHT: 346.33616
SMILES: CC1=CC(=NC2=CC=CC3=C2C=CC=C3N=C4C=C(C(=O)O4)C)OC1=O
Structure:
CAS RN: 877-80-5
CAS Name: 3-methyl-5-[[5-[(4-methyl-5-oxo-2-furanylidene)amino]-1-naphthalenyl]imino]-2-furanone
OPENEYE Name: 3-methyl-5-[[5-[(4-methyl-5-oxo-2-furylidene)amino]-1-naphthyl]imino]furan-2-one
IUPAC Name: 3-methyl-5-[5-[(4-methyl-5-oxofuran-2-ylidene)amino]naphthalen-1-yl]iminofuran-2-one
SYSTEMATIC NAME: 3-methyl-5-[5-[(4-methyl-5-oxidanylidene-furan-2-ylidene)amino]naphthalen-1-yl]imino-furan-2-one
MOLECULAR FORMULA: C20H14N2O4
MOLECULAR WEIGHT: 346.33616
SMILES: CC1=CC(=NC2=CC=CC3=C2C=CC=C3N=C4C=C(C(=O)O4)C)OC1=O
Structure:
CAS RN: 6959-95-1
CAS Name: 5-[[5-[(5-oxo-2-furanylidene)amino]-1-naphthalenyl]imino]-2-furanone
OPENEYE Name: 5-[[5-[(5-oxo-2-furylidene)amino]-1-naphthyl]imino]furan-2-one
IUPAC Name: 5-[5-[(5-oxofuran-2-ylidene)amino]naphthalen-1-yl]iminofuran-2-one
SYSTEMATIC NAME: 5-[5-[(5-oxidanylidenefuran-2-ylidene)amino]naphthalen-1-yl]iminofuran-2-one
MOLECULAR FORMULA: C18H10N2O4
MOLECULAR WEIGHT: 318.283
SMILES: C1=CC2=C(C=CC=C2N=C3C=CC(=O)O3)C(=C1)N=C4C=CC(=O)O4
Structure:
CAS RN: 6959-94-0
CAS Name: 3,11-bis(phenylmethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecane
OPENEYE Name: 3,11-dibenzyl-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecane
IUPAC Name: 3,11-dibenzyl-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecane
SYSTEMATIC NAME: 3,11-bis(phenylmethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecane
MOLECULAR FORMULA: C24H30N2S3
MOLECULAR WEIGHT: 442.7034
SMILES: C1CN(CCC12SC3(CCN(CC3)CC4=CC=CC=C4)SS2)CC5=CC=CC=C5
Structure:
CAS RN: 6959-92-8
CAS Name: N-(4-oxo-2-phenyl-1-benzopyran-3-yl)methanesulfonamide
OPENEYE Name: N-(4-oxo-2-phenyl-chromen-3-yl)methanesulfonamide
IUPAC Name: N-(4-oxo-2-phenylchromen-3-yl)methanesulfonamide
SYSTEMATIC NAME: N-(4-oxidanylidene-2-phenyl-chromen-3-yl)methanesulfonamide
MOLECULAR FORMULA: C16H13NO4S
MOLECULAR WEIGHT: 315.34372
SMILES: CS(=O)(=O)NC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Structure:
CAS RN: 6959-91-7
CAS Name: N-(4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)methanesulfonamide
OPENEYE Name: N-(4-oxo-2-phenyl-chroman-3-yl)methanesulfonamide
IUPAC Name: N-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)methanesulfonamide
SYSTEMATIC NAME: N-(4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl)methanesulfonamide
MOLECULAR FORMULA: C16H15NO4S
MOLECULAR WEIGHT: 317.3596
SMILES: CS(=O)(=O)NC1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3
Structure:
CAS RN: 87734-61-0
CAS Name: 1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-phenylpropane-1,3-dione
OPENEYE Name: 1-(6-hydroxy-2,3,4-trimethoxy-phenyl)-3-phenyl-propane-1,3-dione
IUPAC Name: 1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-phenylpropane-1,3-dione
SYSTEMATIC NAME: 1-phenyl-3-(2,3,4-trimethoxy-6-oxidanyl-phenyl)propane-1,3-dione
MOLECULAR FORMULA: C18H18O6
MOLECULAR WEIGHT: 330.33192
SMILES: COC1=C(C(=C(C(=C1)O)C(=O)CC(=O)C2=CC=CC=C2)OC)OC
Structure:
CAS RN: 93957-49-4
CAS Name: 1-(5-bromo-2-hydroxy-6-methoxy-3-nitrophenyl)ethanone
OPENEYE Name: 1-(5-bromo-2-hydroxy-6-methoxy-3-nitro-phenyl)ethanone
IUPAC Name: 1-(5-bromo-2-hydroxy-6-methoxy-3-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(3-bromanyl-2-methoxy-5-nitro-6-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C9H8BrNO5
MOLECULAR WEIGHT: 290.06752
SMILES: CC(=O)C1=C(C(=CC(=C1OC)Br)[N+](=O)[O-])O
Structure:
CAS RN: 67055-62-3
CAS Name: benzoic acid [(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
MOLECULAR FORMULA: C26H36O3
MOLECULAR WEIGHT: 396.56224
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)C5=CC=CC=C5)C)O
Structure:
CAS RN: 407-16-9
CAS Name: 1-[10,13-dimethyl-3-(2-oxanyloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-(10,13-dimethyl-3-tetrahydropyran-2-yloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
IUPAC Name: 1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[10,13-dimethyl-3-(oxan-2-yloxy)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C26H40O3
MOLECULAR WEIGHT: 400.594
SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5CCCCO5)C)C
Structure:
CAS RN: 64633-18-7
CAS Name: (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f][1]benzopyran-7-one
OPENEYE Name: (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
IUPAC Name: (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
SYSTEMATIC NAME: (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromen-7-one
MOLECULAR FORMULA: C18H28O2
MOLECULAR WEIGHT: 276.41372
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC[C@@H]4[C@@]([C@H]3CC2)(CCC(=O)O4)C
Structure:
CAS RN: 63450-32-8
CAS Name: acetic acid [(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-4',4',10',13',14'-pentamethyl-17'-[(2R)-6-methylheptan-2-yl]-11'-oxo-3'-spiro[1,3-dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]yl] ester
OPENEYE Name: [(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-17'-[(1R)-1,5-dimethylhexyl]-4',4',10',13',14'-pentamethyl-11'-oxo-spiro[1,3-dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-3'-yl] acetate
IUPAC Name: [(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-4',4',10',13',14'-pentamethyl-17'-[(2R)-6-methylheptan-2-yl]-11'-oxospiro[1,3-dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-3'-yl] acetate
SYSTEMATIC NAME: [(3'S,5'R,8'R,9'S,10'S,13'R,14'S,17'R)-4',4',10',13',14'-pentamethyl-17'-[(2R)-6-methylheptan-2-yl]-11'-oxidanylidene-spiro[1,3-dithiolane-2,7'-2,3,5,6,8,9,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]-3'-yl] ethanoate
MOLECULAR FORMULA: C34H56O3S2
MOLECULAR WEIGHT: 576.93664
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@H]3[C@H]2C4(C[C@@H]5[C@@]3(CC[C@@H](C5(C)C)OC(=O)C)C)SCCS4)C)C
Structure:
CAS RN: 1474-14-2
CAS Name: 2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
OPENEYE Name: 2-(3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
IUPAC Name: 2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
SYSTEMATIC NAME: 2-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid
MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=O)O
Structure:
CAS RN: 742-80-3
CAS Name: (8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-17-hydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-17-hydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-17-hydroxy-10,13,17-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17S)-9,11-bis(chloranyl)-10,13,17-trimethyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H28Cl2O2
MOLECULAR WEIGHT: 371.34112
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)Cl)Cl
Structure:
CAS RN: 2484-41-5
CAS Name: 3-hydroxy-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f][1]benzopyran-2,8-dione
OPENEYE Name: 3-hydroxy-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
IUPAC Name: 3-hydroxy-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
SYSTEMATIC NAME: 10a,12a-dimethyl-3-oxidanyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
MOLECULAR FORMULA: C19H24O4
MOLECULAR WEIGHT: 316.39146
SMILES: CC12CCC3C(C1CC(C(=O)O2)O)CCC4=CC(=O)C=CC34C
Structure:
CAS RN: 2439-83-0
CAS Name: (2-methyl-1-aziridinyl)-(2-methylphenyl)methanone
OPENEYE Name: (2-methylaziridin-1-yl)-(o-tolyl)methanone
IUPAC Name: (2-methylaziridin-1-yl)-(2-methylphenyl)methanone
SYSTEMATIC NAME: (2-methylaziridin-1-yl)-(2-methylphenyl)methanone
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1CN1C(=O)C2=CC=CC=C2C
Structure:
CAS RN: 26753-53-7
CAS Name: N'-(4-ethoxyphenyl)-N,N-dimethylmethanimidamide; 4-methylbenzenesulfonic acid
OPENEYE Name: N'-(4-ethoxyphenyl)-N,N-dimethyl-formamidine; 4-methylbenzenesulfonic acid
IUPAC Name: N'-(4-ethoxyphenyl)-N,N-dimethylmethanimidamide; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N'-(4-ethoxyphenyl)-N,N-dimethyl-methanimidamide; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C18H24N2O4S
MOLECULAR WEIGHT: 364.45916
SMILES: CCOC1=CC=C(C=C1)N=CN(C)C.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 87718-07-8
CAS Name: benzoic acid [2-[(benzoylthio)methyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(benzoylsulfanylmethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzoate
IUPAC Name: [2-(benzoylsulfanylmethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate
SYSTEMATIC NAME: [5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(phenylcarbonylsulfanylmethyl)oxolan-3-yl] benzoate
MOLECULAR FORMULA: C24H22N2O6S
MOLECULAR WEIGHT: 466.50628
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 87717-99-5
CAS Name: acetic acid [2-[(acetylthio)methyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] ester
OPENEYE Name: [2-(acetylsulfanylmethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] acetate
IUPAC Name: [2-(acetylsulfanylmethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate
SYSTEMATIC NAME: [2-(ethanoylsulfanylmethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C14H18N2O6S
MOLECULAR WEIGHT: 342.36752
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CSC(=O)C)OC(=O)C
Structure:
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