CAS RN: 129286-37-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H11F
MOLECULAR WEIGHT: 270.299743
SMILES: C1=CC2=C3C(=C1)C4=C(C3=CC=C2)C5=C(C=C4)C=C(C=C5)F
Structure:
CAS RN: 129286-36-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H11F
MOLECULAR WEIGHT: 270.299743
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C(C=CC3=C54)F
Structure:
CAS RN: 129251-06-5
CAS Name: (2R,2aS,4aS,7aS,7bR)-2-[(2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carboxylic acid
OPENEYE Name: (2R,2aS,4aS,7aS,7bR)-2-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carboxylic acid
IUPAC Name: (2R,2aS,4aS,7aS,7bR)-2-(2,4-dihydroxy-6-methylbenzoyl)oxy-2a-hydroxy-6,6,7b-trimethyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carboxylic acid
SYSTEMATIC NAME: (2R,2aS,4aS,7aS,7bR)-6,6,7b-trimethyl-2-[2-methyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-2a-oxidanyl-1,2,4a,5,7,7a-hexahydrocyclobuta[e]indene-3-carboxylic acid
MOLECULAR FORMULA: C23H28O7
MOLECULAR WEIGHT: 416.46422
SMILES: CC1=CC(=CC(=C1C(=O)O[C@@H]2C[C@]3([C@@]2(C(=C[C@H]4[C@@H]3CC(C4)(C)C)C(=O)O)O)C)O)O
Structure:
CAS RN: 129238-76-2
CAS Name: 2-(aminomethyl)-4-(4-chlorophenyl)-4-hydroxybutanoic acid
OPENEYE Name: 2-(aminomethyl)-4-(4-chlorophenyl)-4-hydroxy-butanoic acid
IUPAC Name: 2-(aminomethyl)-4-(4-chlorophenyl)-4-hydroxybutanoic acid
SYSTEMATIC NAME: 2-(aminomethyl)-4-(4-chlorophenyl)-4-oxidanyl-butanoic acid
MOLECULAR FORMULA: C11H14ClNO3
MOLECULAR WEIGHT: 243.68676
SMILES: C1=CC(=CC=C1C(CC(CN)C(=O)O)O)Cl
Structure:
CAS RN: 129238-75-1
CAS Name: 3-(aminomethyl)-5-(4-chlorophenyl)-2-oxolanone
OPENEYE Name: 3-(aminomethyl)-5-(4-chlorophenyl)tetrahydrofuran-2-one
IUPAC Name: 3-(aminomethyl)-5-(4-chlorophenyl)oxolan-2-one
SYSTEMATIC NAME: 3-(aminomethyl)-5-(4-chlorophenyl)oxolan-2-one
MOLECULAR FORMULA: C11H12ClNO2
MOLECULAR WEIGHT: 225.67148
SMILES: C1C(C(=O)OC1C2=CC=C(C=C2)Cl)CN
Structure:
CAS RN: 129238-74-0
CAS Name: N-fluoro-7H-purin-6-amine
OPENEYE Name: N-fluoro-7H-purin-6-amine
IUPAC Name: N-fluoro-7H-purin-6-amine
SYSTEMATIC NAME: N-fluoranyl-7H-purin-6-amine
MOLECULAR FORMULA: C5H4FN5
MOLECULAR WEIGHT: 153.117163
SMILES: C1=NC2=C(N1)C(=NC=N2)NF
Structure:
CAS RN: 95536-04-2
CAS Name: N-[2-[[(2R,3S,6R,7S,10R,11S)-7,11-bis[[2-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-2-oxoethyl]-2,3-dihydroxybenzamide
OPENEYE Name: N-[2-[[(2R,3S,6R,7S,10R,11S)-7,11-bis[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-2-oxo-ethyl]-2,3-dihydroxy-benzamide
IUPAC Name: N-[2-[[(2R,3S,6R,7S,10R,11S)-7,11-bis[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]-2,6,10-trimethyl-4,8,12-trioxo-1,5,9-trioxacyclododec-3-yl]amino]-2-oxoethyl]-2,3-dihydroxybenzamide
SYSTEMATIC NAME: N-[2-[[(2R,3S,6R,7S,10R,11S)-7,11-bis[2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]ethanoylamino]-2,6,10-trimethyl-4,8,12-tris(oxidanylidene)-1,5,9-trioxacyclododec-3-yl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
MOLECULAR FORMULA: C39H42N6O18
MOLECULAR WEIGHT: 882.78018
SMILES: C[C@@H]1[C@@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)CNC(=O)C2=C(C(=CC=C2)O)O)C)NC(=O)CNC(=O)C3=C(C(=CC=C3)O)O)C)NC(=O)CNC(=O)C4=C(C(=CC=C4)O)O
Structure:
CAS RN: 69779-23-3
CAS Name: 9-acetyl-7-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 9-acetyl-7-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 9-acetyl-7-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 9-ethanoyl-4-methoxy-7-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H28O11
MOLECULAR WEIGHT: 528.50462
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)O)O
Structure:
CAS RN: 69779-24-4
CAS Name: 9-acetyl-7-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 9-acetyl-7-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 9-acetyl-7-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 9-ethanoyl-4-methoxy-7-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H28O11
MOLECULAR WEIGHT: 528.50462
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)O)O
Structure:
CAS RN: 95405-79-1
CAS Name: 9-acetyl-7-[(4,5-dihydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 9-acetyl-7-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 9-acetyl-7-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 9-ethanoyl-4-methoxy-7-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C27H28O11
MOLECULAR WEIGHT: 528.50462
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)O)O
Structure:
CAS RN: 129026-48-8
CAS Name: 2-[[10-(2-hydroxyethoxy)-9-anthracenyl]methylamino]-2-methylpropane-1,3-diol
OPENEYE Name: 2-[[10-(2-hydroxyethoxy)-9-anthryl]methylamino]-2-methyl-propane-1,3-diol
IUPAC Name: 2-[[10-(2-hydroxyethoxy)anthracen-9-yl]methylamino]-2-methylpropane-1,3-diol
SYSTEMATIC NAME: 2-[[10-(2-hydroxyethyloxy)anthracen-9-yl]methylamino]-2-methyl-propane-1,3-diol
MOLECULAR FORMULA: C21H25NO4
MOLECULAR WEIGHT: 355.4275
SMILES: CC(CO)(CO)NCC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCCO
Structure:
CAS RN: 129018-59-3
CAS Name: 1-methyl-2-nitro-6-phenylimidazo[4,5-b]pyridine
OPENEYE Name: 1-methyl-2-nitro-6-phenyl-imidazo[4,5-b]pyridine
IUPAC Name: 1-methyl-2-nitro-6-phenylimidazo[4,5-b]pyridine
SYSTEMATIC NAME: 1-methyl-2-nitro-6-phenyl-imidazo[4,5-b]pyridine
MOLECULAR FORMULA: C13H10N4O2
MOLECULAR WEIGHT: 254.2441
SMILES: CN1C2=C(N=CC(=C2)C3=CC=CC=C3)N=C1[N+](=O)[O-]
Structure:
CAS RN: 128962-66-3
CAS Name: (2S,3R,4R,5R,6S)-2-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-3-oxanyl]oxy]-6-methyloxane-3,4,5-triol
OPENEYE Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]oxy-6-methyl-tetrahydropyran-3,4,5-triol
IUPAC Name: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-2-methoxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C13H24O10
MOLECULAR WEIGHT: 340.32366
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC)CO)O)O)O)O)O
Structure:
CAS RN: 128941-62-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H16
MOLECULAR WEIGHT: 268.35174
SMILES: CC1=C2C(=C3C=CC=C4C3=C1CC4)C=CC5=CC=CC=C52
Structure:
CAS RN: 128922-70-3
CAS Name: 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]-1-benzopyran-4-one
OPENEYE Name: 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
IUPAC Name: 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
SYSTEMATIC NAME: 2-[2-(4-methoxyphenyl)ethyl]-5,8-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(C=CC(=C3O2)O)O
Structure:
CAS RN: 128885-13-2
CAS Name: (4S,5R,6R,7S,8R)-7,9-diacetyloxy-4,6-dihydroxy-5-[(2-hydroxy-1-oxoethyl)amino]-8-methoxy-2-oxononanoic acid
OPENEYE Name: (4S,5R,6R,7S,8R)-7,9-diacetoxy-4,6-dihydroxy-5-[(2-hydroxyacetyl)amino]-8-methoxy-2-oxo-nonanoic acid
IUPAC Name: (4S,5R,6R,7S,8R)-7,9-diacetyloxy-4,6-dihydroxy-5-[(2-hydroxyacetyl)amino]-8-methoxy-2-oxononanoic acid
SYSTEMATIC NAME: (4S,5R,6R,7S,8R)-7,9-diacetyloxy-8-methoxy-4,6-bis(oxidanyl)-5-(2-oxidanylethanoylamino)-2-oxidanylidene-nonanoic acid
MOLECULAR FORMULA: C16H25NO12
MOLECULAR WEIGHT: 423.3692
SMILES: CC(=O)OC[C@H]([C@H]([C@@H]([C@@H]([C@H](CC(=O)C(=O)O)O)NC(=O)CO)O)OC(=O)C)OC
Structure:
CAS RN: 128864-32-4
CAS Name: acetic acid [2-[(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)-oxomethyl]phenyl] ester
OPENEYE Name: [2-(4,5-dihydroxy-10-oxo-9H-anthracene-9-carbonyl)phenyl] acetate
IUPAC Name: [2-(4,5-dihydroxy-10-oxo-9H-anthracene-9-carbonyl)phenyl] acetate
SYSTEMATIC NAME: [2-[[4,5-bis(oxidanyl)-10-oxidanylidene-9H-anthracen-9-yl]carbonyl]phenyl] ethanoate
MOLECULAR FORMULA: C23H16O6
MOLECULAR WEIGHT: 388.36954
SMILES: CC(=O)OC1=CC=CC=C1C(=O)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O
Structure:
CAS RN: 128855-74-3
CAS Name: (8S,13S,14S,17S)-17-[(2R)-2-fluoro-1-oxopropyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,13S,14S,17S)-17-[(2R)-2-fluoropropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,13S,14S,17S)-17-[(2R)-2-fluoropropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,13S,14S,17S)-17-[(2R)-2-fluoranylpropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H29FO2
MOLECULAR WEIGHT: 344.462863
SMILES: C[C@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C)F
Structure:
CAS RN: 128836-54-4
CAS Name: N-[2-[4-[[(cyclohexylamino)-oxomethyl]sulfamoyl]phenyl]ethyl]-2-hydroxy-5-iodobenzamide
OPENEYE Name: N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-hydroxy-5-iodo-benzamide
IUPAC Name: N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-hydroxy-5-iodobenzamide
SYSTEMATIC NAME: N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-5-iodanyl-2-oxidanyl-benzamide
MOLECULAR FORMULA: C22H26IN3O5S
MOLECULAR WEIGHT: 571.42841
SMILES: C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)CCNC(=O)C3=C(C=CC(=C3)I)O
Structure:
CAS RN: 128831-46-9
CAS Name: 1-[4-(2-chlorophenyl)-6,7-dimethyl-3-quinolinyl]-3-(2,4-difluorophenyl)urea
OPENEYE Name: 1-[4-(2-chlorophenyl)-6,7-dimethyl-3-quinolyl]-3-(2,4-difluorophenyl)urea
IUPAC Name: 1-[4-(2-chlorophenyl)-6,7-dimethylquinolin-3-yl]-3-(2,4-difluorophenyl)urea
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenyl]-3-[4-(2-chlorophenyl)-6,7-dimethyl-quinolin-3-yl]urea
MOLECULAR FORMULA: C24H18ClF2N3O
MOLECULAR WEIGHT: 437.869026
SMILES: CC1=C(C=C2C(=C1)C(=C(C=N2)NC(=O)NC3=C(C=C(C=C3)F)F)C4=CC=CC=C4Cl)C
Structure:
CAS RN: 95079-19-9
CAS Name: 7-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-phenoxazinone
OPENEYE Name: 7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenoxazin-3-one
IUPAC Name: 7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxazin-3-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenoxazin-3-one
MOLECULAR FORMULA: C18H17NO8
MOLECULAR WEIGHT: 375.32948
SMILES: C1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)OC4=CC(=O)C=CC4=N2
Structure:
CAS RN: 94818-84-5
CAS Name: 6-hydroxy-3-oxo-5H-phenazine-1-carboxylic acid
OPENEYE Name: 6-hydroxy-3-oxo-5H-phenazine-1-carboxylic acid
IUPAC Name: 6-hydroxy-3-oxo-5H-phenazine-1-carboxylic acid
SYSTEMATIC NAME: 6-oxidanyl-3-oxidanylidene-5H-phenazine-1-carboxylic acid
MOLECULAR FORMULA: C13H8N2O4
MOLECULAR WEIGHT: 256.21362
SMILES: C1=CC2=C(C(=C1)O)NC3=CC(=O)C=C(C3=N2)C(=O)O
Structure:
CAS RN: 95041-97-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26N2O7
MOLECULAR WEIGHT: 346.37614
SMILES: C[C@@H]1C=C([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)OC
Structure:
CAS RN: 95041-49-9
CAS Name: (2R,3S,5R)-2-(hydroxymethyl)-5-phenyl-3-oxolanol
OPENEYE Name: (2R,3S,5R)-2-(hydroxymethyl)-5-phenyl-tetrahydrofuran-3-ol
IUPAC Name: (2R,3S,5R)-2-(hydroxymethyl)-5-phenyloxolan-3-ol
SYSTEMATIC NAME: (2R,3S,5R)-2-(hydroxymethyl)-5-phenyl-oxolan-3-ol
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: C1[C@@H]([C@H](O[C@H]1C2=CC=CC=C2)CO)O
Structure:
CAS RN: 94773-24-7
CAS Name: (4S)-4-[[(2S)-2-amino-3-methyl-1-oxobutyl]amino]-5-[(2S)-2-[[[(2S,3S)-1-[(2S)-2-[[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-[[(2S)-2-amino-3-methyl-butanoyl]amino]-5-[(2S)-2-[[(1S,2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]pyrrolidine-1-carbonyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-[(2S)-2-[[(2S,3S)-1-[(2S)-2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-[[(2S)-2-azanyl-3-methyl-butanoyl]amino]-5-[(2S)-2-[[(2S,3S)-1-[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pent
MOLECULAR FORMULA: C35H52N6O10
MOLECULAR WEIGHT: 716.82158
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)N
Structure:
CAS RN: 95034-01-8
CAS Name: 2-bromo-N-[2-[[3-[(2-cyano-1H-indol-5-yl)oxy]-2-hydroxypropyl]amino]-2-methylpropyl]acetamide
OPENEYE Name: 2-bromo-N-[2-[[3-[(2-cyano-1H-indol-5-yl)oxy]-2-hydroxy-propyl]amino]-2-methyl-propyl]acetamide
IUPAC Name: 2-bromo-N-[2-[[3-[(2-cyano-1H-indol-5-yl)oxy]-2-hydroxypropyl]amino]-2-methylpropyl]acetamide
SYSTEMATIC NAME: 2-bromanyl-N-[2-[[3-[(2-cyano-1H-indol-5-yl)oxy]-2-oxidanyl-propyl]amino]-2-methyl-propyl]ethanamide
MOLECULAR FORMULA: C18H23BrN4O3
MOLECULAR WEIGHT: 423.30422
SMILES: CC(C)(CNC(=O)CBr)NCC(COC1=CC2=C(C=C1)NC(=C2)C#N)O
Structure:
CAS RN: 66240-30-0
CAS Name: 2-methoxy-7,12-dimethylbenzo[a]anthracene
OPENEYE Name: 2-methoxy-7,12-dimethyl-benzo[a]anthracene
IUPAC Name: 2-methoxy-7,12-dimethylbenzo[a]anthracene
SYSTEMATIC NAME: 2-methoxy-7,12-dimethyl-benzo[a]anthracene
MOLECULAR FORMULA: C21H18O
MOLECULAR WEIGHT: 286.36702
SMILES: CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=C(C=C3)OC
Structure:
CAS RN: 68039-08-7
CAS Name: 1,3-benzodioxole-5-carboxylic acid (5-carbamoyl-1H-imidazol-4-yl) ester
OPENEYE Name: (5-carbamoyl-1H-imidazol-4-yl) 1,3-benzodioxole-5-carboxylate
IUPAC Name: (5-carbamoyl-1H-imidazol-4-yl) 1,3-benzodioxole-5-carboxylate
SYSTEMATIC NAME: (5-aminocarbonyl-1H-imidazol-4-yl) 1,3-benzodioxole-5-carboxylate
MOLECULAR FORMULA: C12H9N3O5
MOLECULAR WEIGHT: 275.21696
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)OC3=C(NC=N3)C(=O)N
Structure:
CAS RN: 94731-13-2
CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1-naphthalenyl]oxy]-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[4-[2-hydroxy-3-(isopropylamino)propoxy]-1-naphthyl]oxy]tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]naphthalen-1-yl]oxy-oxane-2-carboxylic acid
MOLECULAR FORMULA: C22H29NO9
MOLECULAR WEIGHT: 451.46696
SMILES: CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O
Structure:
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