CAS RN: 104783-28-0
CAS Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-7-(3,3,3-trichloro-2-hydroxypropyl)-3H-purin-9-ium-6-one
OPENEYE Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-(3,3,3-trichloro-2-hydroxy-propyl)-3H-purin-9-ium-6-one
IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-(3,3,3-trichloro-2-hydroxypropyl)-3H-purin-9-ium-6-one
SYSTEMATIC NAME: 2-azanyl-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-7-[3,3,3-tris(chloranyl)-2-oxidanyl-propyl]-3H-purin-9-ium-6-one
MOLECULAR FORMULA: C13H17Cl3N5O5+
MOLECULAR WEIGHT: 429.66358
SMILES: C1[C@@H]([C@H](O[C@H]1[N+]2=CN(C3=C2NC(=NC3=O)N)CC(C(Cl)(Cl)Cl)O)CO)O
Structure:
CAS RN: 104778-51-0
CAS Name: 2,4,6-trichlorobenzenesulfonic acid
OPENEYE Name: 2,4,6-trichlorobenzenesulfonic acid
IUPAC Name: 2,4,6-trichlorobenzenesulfonic acid
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)benzenesulfonic acid
MOLECULAR FORMULA: C6H3Cl3O3S
MOLECULAR WEIGHT: 261.51022
SMILES: C1=C(C=C(C(=C1Cl)S(=O)(=O)O)Cl)Cl
Structure:
CAS RN: 104777-77-7
CAS Name: 4-[(1S,2R)-2-aminocyclopropyl]phenol
OPENEYE Name: 4-[(1S,2R)-2-aminocyclopropyl]phenol
IUPAC Name: 4-[(1S,2R)-2-aminocyclopropyl]phenol
SYSTEMATIC NAME: 4-[(1S,2R)-2-azanylcyclopropyl]phenol
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: C1[C@H]([C@@H]1N)C2=CC=C(C=C2)O
Structure:
CAS RN: 104764-31-0
CAS Name: 2-amino-7-(2,3-dihydroxypropyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-9-ium-6-one
OPENEYE Name: 2-amino-7-(2,3-dihydroxypropyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-9-ium-6-one
IUPAC Name: 2-amino-7-(2,3-dihydroxypropyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-9-ium-6-one
SYSTEMATIC NAME: 2-azanyl-7-[2,3-bis(oxidanyl)propyl]-9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-9-ium-6-one
MOLECULAR FORMULA: C13H20N5O6+
MOLECULAR WEIGHT: 342.3278
SMILES: C1[C@@H]([C@H](O[C@H]1[N+]2=CN(C3=C2NC(=NC3=O)N)CC(CO)O)CO)O
Structure:
CAS RN: 104761-60-6
CAS Name: 6-fluoro-7-methyl-12-methylene-2,3,4,7-tetrahydro-1H-benzo[a]anthracene
OPENEYE Name: 6-fluoro-7-methyl-12-methylene-2,3,4,7-tetrahydro-1H-benzo[a]anthracene
IUPAC Name: 6-fluoro-7-methyl-12-methylidene-2,3,4,7-tetrahydro-1H-benzo[a]anthracene
SYSTEMATIC NAME: 6-fluoranyl-7-methyl-12-methylidene-2,3,4,7-tetrahydro-1H-benzo[a]anthracene
MOLECULAR FORMULA: C20H19F
MOLECULAR WEIGHT: 278.363263
SMILES: CC1C2=CC=CC=C2C(=C)C3=C4CCCCC4=CC(=C13)F
Structure:
CAS RN: 104761-44-6
CAS Name: 6-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
OPENEYE Name: 6-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
IUPAC Name: 6-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
SYSTEMATIC NAME: 6-fluoranyl-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
MOLECULAR FORMULA: C20H19F
MOLECULAR WEIGHT: 278.363263
SMILES: CC1=C2C3=C(CCCC3)C=C(C2=C(C4=CC=CC=C14)C)F
Structure:
CAS RN: 104761-43-5
CAS Name: 5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
OPENEYE Name: 5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
IUPAC Name: 5-fluoro-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
SYSTEMATIC NAME: 5-fluoranyl-7,12-dimethyl-1,2,3,4-tetrahydrobenzo[a]anthracene
MOLECULAR FORMULA: C20H19F
MOLECULAR WEIGHT: 278.363263
SMILES: CC1=C2C=C(C3=C(C2=C(C4=CC=CC=C14)C)CCCC3)F
Structure:
CAS RN: 104756-72-1
CAS Name: 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxynaphthalene-2,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxy-naphthalene-2,3-dicarboxylate
IUPAC Name: dimethyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-5,6,7-trimethoxynaphthalene-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-(3,4-dimethoxyphenyl)-5,6,7-trimethoxy-1-oxidanyl-naphthalene-2,3-dicarboxylate
MOLECULAR FORMULA: C25H26O10
MOLECULAR WEIGHT: 486.46794
SMILES: COC1=C(C=C(C=C1)C2=C(C(=C(C3=CC(=C(C(=C32)OC)OC)OC)O)C(=O)OC)C(=O)OC)OC
Structure:
CAS RN: 104753-60-8
CAS Name: 3-(dimethylamino)-2,2-dimethyl-3,4-dihydro-1H-naphthalene-1,7-diol
OPENEYE Name: 3-(dimethylamino)-2,2-dimethyl-tetralin-1,7-diol
IUPAC Name: 3-(dimethylamino)-2,2-dimethyl-3,4-dihydro-1H-naphthalene-1,7-diol
SYSTEMATIC NAME: 3-(dimethylamino)-2,2-dimethyl-3,4-dihydro-1H-naphthalene-1,7-diol
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CC1(C(CC2=C(C1O)C=C(C=C2)O)N(C)C)C
Structure:
CAS RN: 104745-67-7
CAS Name: 2-[[[4-(3-chloro-3-diazirinyl)phenyl]-oxomethyl]amino]acetic acid
OPENEYE Name: 2-[[4-(3-chlorodiazirin-3-yl)benzoyl]amino]acetic acid
IUPAC Name: 2-[[4-(3-chlorodiazirin-3-yl)benzoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[4-(3-chloranyl-1,2-diazirin-3-yl)phenyl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C10H8ClN3O3
MOLECULAR WEIGHT: 253.64182
SMILES: C1=CC(=CC=C1C(=O)NCC(=O)O)C2(N=N2)Cl
Structure:
CAS RN: 104732-22-1
CAS Name: 5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid
OPENEYE Name: 5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid
IUPAC Name: 5-[(3-chloro-6-methyl-5,5-dioxido-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]pentanoic acid
SYSTEMATIC NAME: 5-[[3-chloranyl-6-methyl-5,5-bis(oxidanidyl)-11H-benzo[c][2,1]benzothiazepin-11-yl]amino]pentanoic acid
MOLECULAR FORMULA: C19H21ClN2O4S-2
MOLECULAR WEIGHT: 408.89904
SMILES: CN1C2=CC=CC=C2C(C3=C(S1([O-])[O-])C=C(C=C3)Cl)NCCCCC(=O)O
Structure:
CAS RN: 104730-58-7
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
IUPAC Name: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate
SYSTEMATIC NAME: [(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate
MOLECULAR FORMULA: C31H43Cl2NO3
MOLECULAR WEIGHT: 548.58402
SMILES: C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C
Structure:
CAS RN: 104716-89-4
CAS Name: 8-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
OPENEYE Name: 8-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
IUPAC Name: 8-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SYSTEMATIC NAME: 8-fluoranyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
MOLECULAR FORMULA: C19H22FNO5
MOLECULAR WEIGHT: 363.380083
SMILES: COC1=CC(=CC(=C1OC)OC)CC2C3=C(C(=C(C=C3CCN2)O)O)F
Structure:
CAS RN: 104716-88-3
CAS Name: 5-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
OPENEYE Name: 5-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
IUPAC Name: 5-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SYSTEMATIC NAME: 5-fluoranyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
MOLECULAR FORMULA: C19H22FNO5
MOLECULAR WEIGHT: 363.380083
SMILES: COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C(=C3CCN2)F)O)O
Structure:
CAS RN: 158328-07-5
CAS Name: 5-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
OPENEYE Name: 5-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
IUPAC Name: 5-fluoro-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
SYSTEMATIC NAME: 5-fluoranyl-1-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
MOLECULAR FORMULA: C19H22FNO5
MOLECULAR WEIGHT: 363.380083
SMILES: COC1=CC(=CC(=C1OC)OC)CC2C3=CC(=C(C(=C3CCN2)F)O)O
Structure:
CAS RN: 104704-27-0
CAS Name: N-[2-(2-pyridinyldisulfanyl)ethyl]acetamide
OPENEYE Name: N-[2-(2-pyridyldisulfanyl)ethyl]acetamide
IUPAC Name: N-[2-(pyridin-2-yldisulfanyl)ethyl]acetamide
SYSTEMATIC NAME: N-[2-(pyridin-2-yldisulfanyl)ethyl]ethanamide
MOLECULAR FORMULA: C9H12N2OS2
MOLECULAR WEIGHT: 228.33438
SMILES: CC(=O)NCCSSC1=CC=CC=N1
Structure:
CAS RN: 85426-74-0
CAS Name: 6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
OPENEYE Name: 6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
IUPAC Name: 6-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=C2C(=NC(=NC2=O)N)N(N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
Structure:
CAS RN: 85369-28-4
CAS Name: (2R)-2-[[2-(9H-fluoren-9-yl)-1-oxoethyl]amino]-3-(methylthio)propanoic acid
OPENEYE Name: (2R)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-methylsulfanyl-propanoic acid
IUPAC Name: (2R)-2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-[2-(9H-fluoren-9-yl)ethanoylamino]-3-methylsulfanyl-propanoic acid
MOLECULAR FORMULA: C19H19NO3S
MOLECULAR WEIGHT: 341.42406
SMILES: CSC[C@@H](C(=O)O)NC(=O)CC1C2=CC=CC=C2C3=CC=CC=C13
Structure:
CAS RN: 85363-09-3
CAS Name: (2S)-2-[[[6-[(2-aminoethylamino)methyl]-2-pyridinyl]-oxomethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: methyl (2S)-2-[[6-[(2-aminoethylamino)methyl]pyridine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: methyl (2S)-2-[[6-[(2-azanylethylamino)methyl]pyridin-2-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C16H22N6O3
MOLECULAR WEIGHT: 346.38428
SMILES: COC(=O)[C@H](CC1=CN=CN1)NC(=O)C2=NC(=CC=C2)CNCCN
Structure:
CAS RN: 85351-02-6
CAS Name: 5-(4-thiazolyl)-2-furanamine
OPENEYE Name: 5-thiazol-4-ylfuran-2-amine
IUPAC Name: 5-(1,3-thiazol-4-yl)furan-2-amine
SYSTEMATIC NAME: 5-(1,3-thiazol-4-yl)furan-2-amine
MOLECULAR FORMULA: C7H6N2OS
MOLECULAR WEIGHT: 166.20034
SMILES: C1=C(OC(=C1)N)C2=CSC=N2
Structure:
CAS RN: 85344-30-5
CAS Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]-4-carboxy-1-oxobutyl]amino]-4-carboxy-1-oxobutyl]amino]pentanedioic acid
OPENEYE Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
IUPAC Name: (2S)-2-[[(4S)-4-[[(4S)-4-[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[(4S)-4-[[(4S)-4-[[4-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
MOLECULAR FORMULA: C31H35N7O12
MOLECULAR WEIGHT: 697.6493
SMILES: C1=CC(=CC=C1CNC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O
Structure:
CAS RN: 85287-57-6
CAS Name: 2-(methylamino)benzoic acid [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] 2-(methylamino)benzoate
IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-4-oxidanyl-2-[[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] 2-(methylamino)benzoate
MOLECULAR FORMULA: C18H23N6O15P3
MOLECULAR WEIGHT: 656.327703
SMILES: CNC1=CC=CC=C1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=NC4=C3NC(=NC4=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
Structure:
CAS RN: 104700-86-9
CAS Name: 15-methylhexadecanoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl 15-methylhexadecanoate
IUPAC Name: 2,3-dihydroxypropyl 15-methylhexadecanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 15-methylhexadecanoate
MOLECULAR FORMULA: C20H40O4
MOLECULAR WEIGHT: 344.5292
SMILES: CC(C)CCCCCCCCCCCCCC(=O)OCC(CO)O
Structure:
CAS RN: 104700-85-8
CAS Name: 14-methylpentadecanoic acid 2,3-dihydroxypropyl ester
OPENEYE Name: 2,3-dihydroxypropyl 14-methylpentadecanoate
IUPAC Name: 2,3-dihydroxypropyl 14-methylpentadecanoate
SYSTEMATIC NAME: 2,3-bis(oxidanyl)propyl 14-methylpentadecanoate
MOLECULAR FORMULA: C19H38O4
MOLECULAR WEIGHT: 330.50262
SMILES: CC(C)CCCCCCCCCCCCC(=O)OCC(CO)O
Structure:
CAS RN: 90521-73-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O9
MOLECULAR WEIGHT: 410.41504
SMILES: CC1=C[C@@H]([C@H]([C@]2([C@H]1C[C@@H]3C45[C@@H]2C([C@@H](C(=C)[C@@]4([C@H](C(=O)O3)O)O)O)(OC5)O)C)O)O
Structure:
CAS RN: 104683-52-5
CAS Name: 3-[4-[4-(3-methylphenyl)-1-piperazinyl]butyl]imidazolidine-2,4-dione
OPENEYE Name: 3-[4-[4-(m-tolyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
IUPAC Name: 3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C18H26N4O2
MOLECULAR WEIGHT: 330.42464
SMILES: CC1=CC(=CC=C1)N2CCN(CC2)CCCCN3C(=O)CNC3=O
Structure:
CAS RN: 104672-11-9
CAS Name: 1-(4-amino-3,5-dichlorophenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethanol
OPENEYE Name: 1-(4-amino-3,5-dichloro-phenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanol
IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanol
SYSTEMATIC NAME: 1-[4-azanyl-3,5-bis(chloranyl)phenyl]-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanol
MOLECULAR FORMULA: C22H29Cl2N3O4
MOLECULAR WEIGHT: 470.38936
SMILES: COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(C3=CC(=C(C(=C3)Cl)N)Cl)O)OC)OC
Structure:
CAS RN: 104640-54-2
CAS Name: (2R)-2-amino-3-(1-carboxyethylthio)propanoic acid
OPENEYE Name: (2R)-2-amino-3-(1-carboxyethylsulfanyl)propanoic acid
IUPAC Name: (2R)-2-amino-3-(1-carboxyethylsulfanyl)propanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-propanoic acid
MOLECULAR FORMULA: C6H11NO4S
MOLECULAR WEIGHT: 193.22084
SMILES: CC(C(=O)O)SC[C@@H](C(=O)O)N
Structure:
CAS RN: 84454-35-3
CAS Name: 9H-pyrido[3,4-b]indole-3-carboxylic acid butyl ester
OPENEYE Name: butyl 9H-pyrido[3,4-b]indole-3-carboxylate
IUPAC Name: butyl 9H-pyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: butyl 9H-pyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: CCCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
Structure:
CAS RN: 104639-39-6
CAS Name: 1-[(2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-(methoxymethyl)pyrimidine-2,4-dione
OPENEYE Name: 1-[(2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
IUPAC Name: 1-[(2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2S,4R,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(methoxymethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H16N2O6
MOLECULAR WEIGHT: 272.25454
SMILES: COCC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@H](O2)CO)O
Structure:
CAS RN: 104639-01-2
CAS Name: 4-isothiocyanato-1-(1-phenylcyclohexyl)piperidine
OPENEYE Name: 4-isothiocyanato-1-(1-phenylcyclohexyl)piperidine
IUPAC Name: 4-isothiocyanato-1-(1-phenylcyclohexyl)piperidine
SYSTEMATIC NAME: 4-isothiocyanato-1-(1-phenylcyclohexyl)piperidine
MOLECULAR FORMULA: C18H24N2S
MOLECULAR WEIGHT: 300.46156
SMILES: C1CCC(CC1)(C2=CC=CC=C2)N3CCC(CC3)N=C=S
Structure:
CAS RN: 90204-34-5
CAS Name: N-[2-hydroxy-3-(1-naphthalenyloxy)propyl]-N-propan-2-ylnitrous amide
OPENEYE Name: N-[2-hydroxy-3-(1-naphthyloxy)propyl]-N-isopropyl-nitrous amide
IUPAC Name: N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylnitrous amide
SYSTEMATIC NAME: N-(3-naphthalen-1-yloxy-2-oxidanyl-propyl)-N-propan-2-yl-nitrous amide
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC(C)N(CC(COC1=CC=CC2=CC=CC=C21)O)N=O
Structure:
CAS RN: 9017-72-5
CAS Name: 1-[hydroxy(propan-2-yl)amino]-3-(1-naphthalenyloxy)-2-propanol
OPENEYE Name: 1-[hydroxy(isopropyl)amino]-3-(1-naphthyloxy)propan-2-ol
IUPAC Name: 1-[hydroxy(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
SYSTEMATIC NAME: 1-naphthalen-1-yloxy-3-[oxidanyl(propan-2-yl)amino]propan-2-ol
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC(C)N(CC(COC1=CC=CC2=CC=CC=C21)O)O
Structure:
CAS RN: 84418-31-5
CAS Name: 1-[hydroxy(propan-2-yl)amino]-3-(1-naphthalenyloxy)-2-propanol
OPENEYE Name: 1-[hydroxy(isopropyl)amino]-3-(1-naphthyloxy)propan-2-ol
IUPAC Name: 1-[hydroxy(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
SYSTEMATIC NAME: 1-naphthalen-1-yloxy-3-[oxidanyl(propan-2-yl)amino]propan-2-ol
MOLECULAR FORMULA: C16H21NO3
MOLECULAR WEIGHT: 275.34284
SMILES: CC(C)N(CC(COC1=CC=CC2=CC=CC=C21)O)O
Structure:
No comments:
Post a Comment