CAS RN: 23496-41-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O
Structure:
CAS RN: 239-85-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O
Structure:
CAS RN: 135636-54-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O
Structure:
CAS RN: 107299-20-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H45NO3
MOLECULAR WEIGHT: 431.6511
SMILES: C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O
Structure:
CAS RN: 135635-83-5
CAS Name: 1,3-dihydroxy-8-methoxy-3-methyl-2,4-dihydro-1H-benzo[a]anthracene-7,12-dione
OPENEYE Name: 1,3-dihydroxy-8-methoxy-3-methyl-2,4-dihydro-1H-benzo[a]anthracene-7,12-dione
IUPAC Name: 1,3-dihydroxy-8-methoxy-3-methyl-2,4-dihydro-1H-benzo[a]anthracene-7,12-dione
SYSTEMATIC NAME: 8-methoxy-3-methyl-1,3-bis(oxidanyl)-2,4-dihydro-1H-benzo[a]anthracene-7,12-dione
MOLECULAR FORMULA: C20H18O5
MOLECULAR WEIGHT: 338.35392
SMILES: CC1(CC(C2=C(C1)C=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC)O)O
Structure:
CAS RN: 135588-56-6
CAS Name: (1R,2R,3S)-2-[4-morpholinyl(oxo)methyl]-3-phenyl-1-cyclopropanecarboxylic acid [(5R)-5-methyl-2-propan-2-ylcyclohexyl] ester
OPENEYE Name: [(5R)-2-isopropyl-5-methyl-cyclohexyl] (1R,2R,3S)-2-(morpholine-4-carbonyl)-3-phenyl-cyclopropanecarboxylate
IUPAC Name: [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2R,3S)-2-(morpholine-4-carbonyl)-3-phenylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(5R)-5-methyl-2-propan-2-yl-cyclohexyl] (1R,2R,3S)-2-morpholin-4-ylcarbonyl-3-phenyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C25H35NO4
MOLECULAR WEIGHT: 413.5497
SMILES: C[C@@H]1CCC(C(C1)OC(=O)[C@@H]2[C@H]([C@H]2C(=O)N3CCOCC3)C4=CC=CC=C4)C(C)C
Structure:
CAS RN: 135588-54-4
CAS Name: 5-methyl-3-[2-(methylamino)-3-(2-methylpropyl)phenyl]-4-isoxazolecarboxylate
OPENEYE Name: 3-[3-isobutyl-2-(methylamino)phenyl]-5-methyl-isoxazole-4-carboxylate
IUPAC Name: 5-methyl-3-[2-(methylamino)-3-(2-methylpropyl)phenyl]-1,2-oxazole-4-carboxylate
SYSTEMATIC NAME: 5-methyl-3-[2-(methylamino)-3-(2-methylpropyl)phenyl]-1,2-oxazole-4-carboxylate
MOLECULAR FORMULA: C16H19N2O3-
MOLECULAR WEIGHT: 287.33366
SMILES: CC1=C(C(=NO1)C2=C(C(=CC=C2)CC(C)C)NC)C(=O)[O-]
Structure:
CAS RN: 135566-92-6
CAS Name: 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(1R,6R)-3-methyl-6-propan-2-yl-1-cyclohex-2-enyl]-4-prop-2-enylphenol
OPENEYE Name: 4-allyl-2-(5-allyl-2-hydroxy-phenyl)-6-[(1R,6R)-6-isopropyl-3-methyl-cyclohex-2-en-1-yl]phenol
IUPAC Name: 2-(2-hydroxy-5-prop-2-enylphenyl)-6-[(1R,6R)-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-4-prop-2-enylphenol
SYSTEMATIC NAME: 2-[(1R,6R)-3-methyl-6-propan-2-yl-cyclohex-2-en-1-yl]-6-(2-oxidanyl-5-prop-2-enyl-phenyl)-4-prop-2-enyl-phenol
MOLECULAR FORMULA: C28H34O2
MOLECULAR WEIGHT: 402.56836
SMILES: CC1=C[C@@H]([C@H](CC1)C(C)C)C2=C(C(=CC(=C2)CC=C)C3=C(C=CC(=C3)CC=C)O)O
Structure:
CAS RN: 135559-95-4
CAS Name: (3R,7S,10R,11R)-10-[[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-3,7,11-triethyl-azacyclotetradecan-2-one
OPENEYE Name: (3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one
IUPAC Name: (3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,7,11-triethyl-azacyclotetradecan-2-one
SYSTEMATIC NAME: (3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,7,11-triethyl-1-azacyclotetradecan-2-one
MOLECULAR FORMULA: C25H48N2O5
MOLECULAR WEIGHT: 456.65902
SMILES: CC[C@H]1CCC[C@H](C(=O)NCCC[C@H]([C@@H](CC1)O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)N)O)CC)CC
Structure:
CAS RN: 135531-42-9
CAS Name: 4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole-3-carboxylate
IUPAC Name: ethyl 4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: ethyl 4-(methoxymethyl)-6-propoxy-9H-pyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C19H22N2O4
MOLECULAR WEIGHT: 342.38898
SMILES: CCCOC1=CC2=C(C=C1)NC3=CN=C(C(=C23)COC)C(=O)OCC
Structure:
CAS RN: 135529-30-5
CAS Name: 3-[(1S,2R,4S,6R)-2-ethenyl-4,6-dimethylcyclohexyl]-1,2-dihydroxy-4-pyridinone
OPENEYE Name: 3-[(1S,2R,4S,6R)-2,4-dimethyl-6-vinyl-cyclohexyl]-1,2-dihydroxy-pyridin-4-one
IUPAC Name: 3-[(1S,2R,4S,6R)-2-ethenyl-4,6-dimethylcyclohexyl]-1,2-dihydroxypyridin-4-one
SYSTEMATIC NAME: 3-[(1S,2R,4S,6R)-2-ethenyl-4,6-dimethyl-cyclohexyl]-1,2-bis(oxidanyl)pyridin-4-one
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: C[C@H]1C[C@H]([C@@H]([C@H](C1)C=C)C2=C(N(C=CC2=O)O)O)C
Structure:
CAS RN: 135525-70-1
CAS Name: 3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
OPENEYE Name: 3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
IUPAC Name: 3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
SYSTEMATIC NAME: 3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: CCC1=C(NC(=O)C(=C1)NCC2=NC3=CC=CC=C3O2)C
Structure:
CAS RN: 135498-67-8
CAS Name: 2-(2-propylpentylamino)acetamide
OPENEYE Name: 2-(2-propylpentylamino)acetamide
IUPAC Name: 2-(2-propylpentylamino)acetamide
SYSTEMATIC NAME: 2-(2-propylpentylamino)ethanamide
MOLECULAR FORMULA: C10H22N2O
MOLECULAR WEIGHT: 186.29448
SMILES: CCCC(CCC)CNCC(=O)N
Structure:
CAS RN: 135490-62-9
CAS Name: [hydroxy-[[(2R,3S,5R)-3-mercapto-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy]phosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [hydroxy-[[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-sulfanyl-tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [hydroxy-[[(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-sulfanyloxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-sulfanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C10H17N2O13P3S
MOLECULAR WEIGHT: 498.233863
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)S
Structure:
CAS RN: 135472-91-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H19NOSe
MOLECULAR WEIGHT: 356.32026
SMILES: CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)[Se]C=C3)CC1
Structure:
CAS RN: 135467-84-4
CAS Name: butanoic acid [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester; 5,7-dichloro-2-methyl-8-quinolinol
OPENEYE Name: 5,7-dichloro-2-methyl-quinolin-8-ol; [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
IUPAC Name: 5,7-dichloro-2-methylquinolin-8-ol; [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
SYSTEMATIC NAME: 5,7-bis(chloranyl)-2-methyl-quinolin-8-ol; [(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate
MOLECULAR FORMULA: C35H43Cl2NO7
MOLECULAR WEIGHT: 660.62442
SMILES: CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO.CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl
Structure:
CAS RN: 135446-92-3
CAS Name: 2-[4-[bis(carboxymethyl)amino]-3-(carboxymethoxy)phenyl]-1H-indole-6-carboxylic acid
OPENEYE Name: 2-[4-[bis(carboxymethyl)amino]-3-(carboxymethoxy)phenyl]-1H-indole-6-carboxylic acid
IUPAC Name: 2-[4-[bis(carboxymethyl)amino]-3-(carboxymethoxy)phenyl]-1H-indole-6-carboxylic acid
SYSTEMATIC NAME: 2-[4-[bis(2-hydroxy-2-oxoethyl)amino]-3-(2-hydroxy-2-oxoethyloxy)phenyl]-1H-indole-6-carboxylic acid
MOLECULAR FORMULA: C21H18N2O9
MOLECULAR WEIGHT: 442.37562
SMILES: C1=CC(=C(C=C1C2=CC3=C(N2)C=C(C=C3)C(=O)O)OCC(=O)O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 135432-47-2
CAS Name: 5-tert-butyl-2,3-bis(phenylmethylthio)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-bis(benzylsulfanyl)-5-tert-butyl-1,4-benzoquinone
IUPAC Name: 2,3-bis(benzylsulfanyl)-5-tert-butylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-tert-butyl-2,3-bis(phenylmethylsulfanyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C24H24O2S2
MOLECULAR WEIGHT: 408.57616
SMILES: CC(C)(C)C1=CC(=O)C(=C(C1=O)SCC2=CC=CC=C2)SCC3=CC=CC=C3
Structure:
CAS RN: 135423-85-7
CAS Name: (2S)-2-[[[4-[(2,4-diamino-5-methyl-6-pyrido[2,3-d]pyrimidinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diamino-5-methyl-pyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)-5-methyl-pyrido[2,3-d]pyrimidin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C24H25N7O5
MOLECULAR WEIGHT: 491.4992
SMILES: CC1=C2C(=NC(=NC2=NC=C1CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N)N
Structure:
CAS RN: 135423-84-6
CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pyrido[2,3-d]pyrimidinyl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pyrido[2,3-d]pyrimidin-6-yl]methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C23H23N7O5
MOLECULAR WEIGHT: 477.47262
SMILES: C#CCN(CC1=CN=C2C(=C1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 135409-59-5
CAS Name: 2-[3-(4-azidophenyl)propylamino]-5-nitrobenzoic acid
OPENEYE Name: 2-[3-(4-azidophenyl)propylamino]-5-nitro-benzoic acid
IUPAC Name: 2-[3-(4-azidophenyl)propylamino]-5-nitrobenzoic acid
SYSTEMATIC NAME: 2-[3-(4-azidophenyl)propylamino]-5-nitro-benzoic acid
MOLECULAR FORMULA: C16H15N5O4
MOLECULAR WEIGHT: 341.3214
SMILES: C1=CC(=CC=C1CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)N=[N+]=[N-]
Structure:
CAS RN: 135393-68-9
CAS Name: 6-bromo-3-phenyl-3,4-dihydro-1H-2-benzopyran-5-ol
OPENEYE Name: 6-bromo-3-phenyl-isochroman-5-ol
IUPAC Name: 6-bromo-3-phenyl-3,4-dihydro-1H-isochromen-5-ol
SYSTEMATIC NAME: 6-bromanyl-3-phenyl-3,4-dihydro-1H-isochromen-5-ol
MOLECULAR FORMULA: C15H13BrO2
MOLECULAR WEIGHT: 305.16652
SMILES: C1C(OCC2=C1C(=C(C=C2)Br)O)C3=CC=CC=C3
Structure:
CAS RN: 135357-95-8
CAS Name: 2,2-diphenyl-5-(2-pyridinylmethoxy)-4-(1-pyrrolidinyl)pentanoic acid ethyl ester
OPENEYE Name: ethyl 2,2-diphenyl-5-(2-pyridylmethoxy)-4-pyrrolidin-1-yl-pentanoate
IUPAC Name: ethyl 2,2-diphenyl-5-(pyridin-2-ylmethoxy)-4-pyrrolidin-1-ylpentanoate
SYSTEMATIC NAME: ethyl 2,2-diphenyl-5-(pyridin-2-ylmethoxy)-4-pyrrolidin-1-yl-pentanoate
MOLECULAR FORMULA: C29H34N2O3
MOLECULAR WEIGHT: 458.59186
SMILES: CCOC(=O)C(CC(COCC1=CC=CC=N1)N2CCCC2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 135357-25-4
CAS Name: (2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
OPENEYE Name: (2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
IUPAC Name: (2R,6R)-2-methyl-4-oxo-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentaoxo-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
SYSTEMATIC NAME: (2R,6R)-2-methyl-4-oxidanylidene-6-[(10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,12,15-pentakis(oxidanylidene)-1,2,5,6,16,17-hexahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
MOLECULAR FORMULA: C30H38O8
MOLECULAR WEIGHT: 526.61792
SMILES: C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2([C@@]1(C(=O)C(=O)C3=C2C(=O)CC4[C@@]3(CCC(=O)C4(C)C)C)C)C
Structure:
CAS RN: 135330-43-7
CAS Name: (2R,3R)-2-(diphenylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
OPENEYE Name: (2R,3R)-2-benzhydryl-N-[[2-(trifluoromethyl)phenyl]methyl]quinuclidin-3-amine
IUPAC Name: (2R,3R)-2-benzhydryl-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
SYSTEMATIC NAME: (2R,3R)-2-(diphenylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
MOLECULAR FORMULA: C28H29F3N2
MOLECULAR WEIGHT: 450.53847
SMILES: C1CN2CCC1[C@H]([C@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)NCC5=CC=CC=C5C(F)(F)F
Structure:
CAS RN: 135328-05-1
CAS Name: hexadecanoic acid [2-(1-oxohexadecoxy)-3-[1-oxo-4-(1-pyrenyl)butoxy]propyl] ester
OPENEYE Name: [2-hexadecanoyloxy-3-(4-pyren-1-ylbutanoyloxy)propyl] hexadecanoate
IUPAC Name: [2-hexadecanoyloxy-3-(4-pyren-1-ylbutanoyloxy)propyl] hexadecanoate
SYSTEMATIC NAME: [2-hexadecanoyloxy-3-(4-pyren-1-ylbutanoyloxy)propyl] hexadecanoate
MOLECULAR FORMULA: C55H82O6
MOLECULAR WEIGHT: 839.23598
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 135264-36-7
CAS Name: 2-[[5-(3-nitro-2-furanyl)-1,3,4-oxadiazol-2-yl]thio]acetohydrazide
OPENEYE Name: 2-[[5-(3-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetohydrazide
IUPAC Name: 2-[[5-(3-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetohydrazide
SYSTEMATIC NAME: 2-[[5-(3-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanehydrazide
MOLECULAR FORMULA: C8H7N5O5S
MOLECULAR WEIGHT: 285.23668
SMILES: C1=COC(=C1[N+](=O)[O-])C2=NN=C(O2)SCC(=O)NN
Structure:
CAS RN: 135248-38-3
CAS Name: (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxy-2-oxanyl]oxy]-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
OPENEYE Name: (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetoxy-3,5-dihydroxy-tetrahydropyran-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
IUPAC Name: (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-dihydroxyoxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
SYSTEMATIC NAME: (4aR,6aR,6aS,6bR,10S,12aR,14bR)-10-[(2S,3R,4S,5S)-4-acetyloxy-3,5-bis(oxidanyl)oxan-2-yl]oxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid
MOLECULAR FORMULA: C37H56O10
MOLECULAR WEIGHT: 660.83454
SMILES: CC(=O)O[C@H]1[C@H](CO[C@H]([C@@H]1O)O[C@H]2CC[C@@]3([C@H]4CC=C5[C@H]6CC(CC[C@@]6(CC[C@]5([C@@]4(CCC3C2(C)C)C)C)C(=O)O)(C)C(=O)O)C)O
Structure:
CAS RN: 135247-97-1
CAS Name: 2,4-dihydroxy-6-methylbenzoic acid [(2R,2aR,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] ester
OPENEYE Name: [(2R,2aR,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methyl-benzoate
IUPAC Name: [(2R,2aR,4aS,7aS,7bR)-3-formyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
SYSTEMATIC NAME: [(2R,2aR,4aS,7aS,7bR)-3-methanoyl-6,6,7b-trimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2-methyl-4,6-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C23H28O5
MOLECULAR WEIGHT: 384.46542
SMILES: CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@H]2C(=C[C@H]4[C@@H]3CC(C4)(C)C)C=O)C)O)O
Structure:
CAS RN: 135247-96-0
CAS Name: 2,4-dihydroxy-6-methylbenzoic acid [(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] ester
OPENEYE Name: [(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methyl-benzoate
IUPAC Name: [(2R,2aS,4aR,7aR,7bR)-3-formyl-2a,4a-dihydroxy-6,6,7b-trimethyl-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2,4-dihydroxy-6-methylbenzoate
SYSTEMATIC NAME: [(2R,2aS,4aR,7aR,7bR)-3-methanoyl-6,6,7b-trimethyl-2a,4a-bis(oxidanyl)-2,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-yl] 2-methyl-4,6-bis(oxidanyl)benzoate
MOLECULAR FORMULA: C23H28O7
MOLECULAR WEIGHT: 416.46422
SMILES: CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@]4([C@@H]3CC(C4)(C)C)O)C=O)O)C)O)O
Structure:
CAS RN: 135212-24-7
CAS Name: 1-[(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-3-yl]oxy-3,10-dihydrophenoxazin-2-one
OPENEYE Name: 1-[(2S)-1-ethyl-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propoxy]-3,10-dihydrophenoxazin-2-one
IUPAC Name: 1-[(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-3-yl]oxy-3,10-dihydrophenoxazin-2-one
SYSTEMATIC NAME: 1-[(2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-3-yl]oxy-3,10-dihydrophenoxazin-2-one
MOLECULAR FORMULA: C36H47NO4
MOLECULAR WEIGHT: 557.76268
SMILES: CCC([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)OC5=C6C(=CCC5=O)OC7=CC=CC=C7N6
Structure:
CAS RN: 135145-98-1
CAS Name: [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-[(4-formyl-5-hydroxy-6-methyl-3-pyridinyl)-hydroxymethyl]phosphoryl] phosphono hydrogen phosphate
OPENEYE Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)-hydroxy-methyl]phosphoryl] phosphono hydrogen phosphate
IUPAC Name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)-hydroxymethyl]phosphoryl] phosphono hydrogen phosphate
SYSTEMATIC NAME: [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-[(4-methanoyl-6-methyl-5-oxidanyl-pyridin-3-yl)-oxidanyl-methyl]phosphoryl] phosphono hydrogen phosphate
MOLECULAR FORMULA: C17H22N3O17P3
MOLECULAR WEIGHT: 633.287763
SMILES: CC1=NC=C(C(=C1O)C=O)C(O)P(=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 135138-42-0
CAS Name: 1,1-dioxo-3-phenylmethoxy-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one
OPENEYE Name: 3-benzyloxy-1,1-dioxo-3,3a,4,7a-tetrahydro-2H-benzothiophen-5-one
IUPAC Name: 1,1-dioxo-3-phenylmethoxy-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-3-phenylmethoxy-3,3a,4,7a-tetrahydro-2H-1-benzothiophen-5-one
MOLECULAR FORMULA: C15H16O4S
MOLECULAR WEIGHT: 292.35014
SMILES: C1C2C(CS(=O)(=O)C2C=CC1=O)OCC3=CC=CC=C3
Structure:
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