CAS RN: 139890-67-8
CAS Name: N-methyl-2-[4-[2-(methylamino)ethoxy]phenoxy]ethanamine
OPENEYE Name: N-methyl-2-[4-[2-(methylamino)ethoxy]phenoxy]ethanamine
IUPAC Name: N-methyl-2-[4-[2-(methylamino)ethoxy]phenoxy]ethanamine
SYSTEMATIC NAME: N-methyl-2-[4-[2-(methylamino)ethoxy]phenoxy]ethanamine
MOLECULAR FORMULA: C12H20N2O2
MOLECULAR WEIGHT: 224.2994
SMILES: CNCCOC1=CC=C(C=C1)OCCNC
Structure:
CAS RN: 139713-80-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O7
MOLECULAR WEIGHT: 376.40036
SMILES: C[C@@H](CO)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2O)O7)COC6=O)C
Structure:
CAS RN: 139682-15-8
CAS Name: 7-(hydroxymethyl)-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylic acid methyl ester
OPENEYE Name: methyl 7-(hydroxymethyl)-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
IUPAC Name: methyl 7-(hydroxymethyl)-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
SYSTEMATIC NAME: methyl 7-(hydroxymethyl)-2,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyridine-4-carboxylate
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: COC(=O)C1=CNCC2C1CC=C2CO
Structure:
CAS RN: 139593-11-6
CAS Name: 5-iodanyl-6-nitro-2-(1-piperazinyl)quinoline
OPENEYE Name: 5-iodanyl-6-nitro-2-piperazin-1-yl-quinoline
IUPAC Name: 5-iodanyl-6-nitro-2-piperazin-1-ylquinoline
SYSTEMATIC NAME: 5-iodanyl-6-nitro-2-piperazin-1-yl-quinoline
MOLECULAR FORMULA: C13H13IN4O2
MOLECULAR WEIGHT: 382.172544
SMILES: C1CN(CCN1)C2=NC3=C(C=C2)C(=C(C=C3)[N+](=O)[O-])[125I]
Structure:
CAS RN: 139593-10-5
CAS Name: 3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-1H-pyrimidine-2,4-dione
IUPAC Name: 3-[2-(2-chloroethoxy)ethoxymethyl]-5-fluoro-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-[2-(2-chloroethyloxy)ethoxymethyl]-5-fluoranyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12ClFN2O4
MOLECULAR WEIGHT: 266.653983
SMILES: C1=C(C(=O)N(C(=O)N1)COCCOCCCl)F
Structure:
CAS RN: 139593-09-2
CAS Name: 3-(6-chlorohexoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-(6-chlorohexoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
IUPAC Name: 3-(6-chlorohexoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-(6-chloranylhexoxymethyl)-5-fluoranyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H16ClFN2O3
MOLECULAR WEIGHT: 278.707743
SMILES: C1=C(C(=O)N(C(=O)N1)COCCCCCCCl)F
Structure:
CAS RN: 139593-08-1
CAS Name: 3-(2-chloroethoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-(2-chloroethoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
IUPAC Name: 3-(2-chloroethoxymethyl)-5-fluoro-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-(2-chloroethyloxymethyl)-5-fluoranyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H8ClFN2O3
MOLECULAR WEIGHT: 222.601423
SMILES: C1=C(C(=O)N(C(=O)N1)COCCCl)F
Structure:
CAS RN: 139571-00-9
CAS Name: 5-[(9,10-dioxo-2-anthracenyl)methoxy]-5-oxopentanoic acid
OPENEYE Name: 5-[(9,10-dioxo-2-anthryl)methoxy]-5-oxo-pentanoic acid
IUPAC Name: 5-[(9,10-dioxoanthracen-2-yl)methoxy]-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[[9,10-bis(oxidanylidene)anthracen-2-yl]methoxy]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C20H16O6
MOLECULAR WEIGHT: 352.33744
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)COC(=O)CCCC(=O)O
Structure:
CAS RN: 139548-02-0
CAS Name: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
OPENEYE Name: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
IUPAC Name: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
SYSTEMATIC NAME: 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CCC1=C(NC(=O)C(=C1)CCC2=NC3=CC=CC=C3O2)CO
Structure:
CAS RN: 133086-81-4
CAS Name: 5-(hydroxymethyl)-1-(2-phenylethyl)-2-pyrrolecarboxaldehyde
OPENEYE Name: 5-(hydroxymethyl)-1-(2-phenylethyl)pyrrole-2-carbaldehyde
IUPAC Name: 5-(hydroxymethyl)-1-(2-phenylethyl)pyrrole-2-carbaldehyde
SYSTEMATIC NAME: 5-(hydroxymethyl)-1-(2-phenylethyl)pyrrole-2-carbaldehyde
MOLECULAR FORMULA: C14H15NO2
MOLECULAR WEIGHT: 229.2744
SMILES: C1=CC=C(C=C1)CCN2C(=CC=C2C=O)CO
Structure:
CAS RN: 74517-55-8
CAS Name: [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] hydrogen phosphate
OPENEYE Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] hydrogen phosphate
IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] hydrogen phosphate
SYSTEMATIC NAME: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [2-[10,13-dimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] hydrogen phosphate
MOLECULAR FORMULA: C30H42N3O12P
MOLECULAR WEIGHT: 667.641141
SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)O)O)C)O
Structure:
CAS RN: 74515-47-2
CAS Name: (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c][1]benzopyran-3,6a-diol
OPENEYE Name: (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydrobenzofuro[3,2-c]chromene-3,6a-diol
IUPAC Name: (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
SYSTEMATIC NAME: (6aS,11aS)-9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
MOLECULAR FORMULA: C21H22O5
MOLECULAR WEIGHT: 354.39638
SMILES: CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C=CC(=C4)O)O)OC)C
Structure:
CAS RN: 74444-52-3
CAS Name: 5-ethyl-6-phenyl-3-phenanthridin-5-iumamine
OPENEYE Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3-amine
IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3-amine
SYSTEMATIC NAME: 5-ethyl-6-phenyl-phenanthridin-5-ium-3-amine
MOLECULAR FORMULA: C21H19N2+
MOLECULAR WEIGHT: 299.38896
SMILES: CC[N+]1=C(C2=CC=CC=C2C3=C1C=C(C=C3)N)C4=CC=CC=C4
Structure:
CAS RN: 79098-13-8
CAS Name: 5-ethyl-6-phenyl-3-phenanthridin-5-iumamine
OPENEYE Name: 5-ethyl-6-phenyl-phenanthridin-5-ium-3-amine
IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3-amine
SYSTEMATIC NAME: 5-ethyl-6-phenyl-phenanthridin-5-ium-3-amine
MOLECULAR FORMULA: C21H19N2+
MOLECULAR WEIGHT: 299.38896
SMILES: CC[N+]1=C(C2=CC=CC=C2C3=C1C=C(C=C3)N)C4=CC=CC=C4
Structure:
CAS RN: 79660-71-2
CAS Name: 2-(4-hydroxy-3-nitrophenyl)acetic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxy-3-nitro-phenyl)acetate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(4-hydroxy-3-nitrophenyl)acetate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] 2-(3-nitro-4-oxidanyl-phenyl)ethanoate
MOLECULAR FORMULA: C12H10N2O7
MOLECULAR WEIGHT: 294.217
SMILES: C1CC(=O)N(C1=O)OC(=O)CC2=CC(=C(C=C2)O)[N+](=O)[O-]
Structure:
CAS RN: 79317-30-9
CAS Name: 1,8-dihydroxy-10-(1-oxopentyl)-10H-anthracen-9-one
OPENEYE Name: 1,8-dihydroxy-10-pentanoyl-10H-anthracen-9-one
IUPAC Name: 1,8-dihydroxy-10-pentanoyl-10H-anthracen-9-one
SYSTEMATIC NAME: 1,8-bis(oxidanyl)-10-pentanoyl-10H-anthracen-9-one
MOLECULAR FORMULA: C19H18O4
MOLECULAR WEIGHT: 310.34382
SMILES: CCCCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
Structure:
CAS RN: 79316-64-6
CAS Name: 1,8-dihydroxy-10-(1-oxopropyl)-10H-anthracen-9-one
OPENEYE Name: 1,8-dihydroxy-10-propanoyl-10H-anthracen-9-one
IUPAC Name: 1,8-dihydroxy-10-propanoyl-10H-anthracen-9-one
SYSTEMATIC NAME: 1,8-bis(oxidanyl)-10-propanoyl-10H-anthracen-9-one
MOLECULAR FORMULA: C17H14O4
MOLECULAR WEIGHT: 282.29066
SMILES: CCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O
Structure:
CAS RN: 75414-43-6
CAS Name: (4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanone
OPENEYE Name: (4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-one
IUPAC Name: (4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
SYSTEMATIC NAME: (4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-one
MOLECULAR FORMULA: C6H10O5
MOLECULAR WEIGHT: 162.1406
SMILES: C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O
Structure:
CAS RN: 79274-29-6
CAS Name: (4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanone
OPENEYE Name: (4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-one
IUPAC Name: (4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-one
SYSTEMATIC NAME: (4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-one
MOLECULAR FORMULA: C6H10O5
MOLECULAR WEIGHT: 162.1406
SMILES: C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O
Structure:
CAS RN: 79185-75-4
CAS Name: [3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-(1H-indol-3-yl)methanone
OPENEYE Name: [3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-(1H-indol-3-yl)methanone
IUPAC Name: [3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-(1H-indol-3-yl)methanone
SYSTEMATIC NAME: [3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-(1H-indol-3-yl)methanone
MOLECULAR FORMULA: C13H12N4OS
MOLECULAR WEIGHT: 272.32558
SMILES: CN(C)C1=NSC(=N1)C(=O)C2=CNC3=CC=CC=C32
Structure:
CAS RN: 75272-77-4
CAS Name: 1-(isothiocyanatomethyl)-3-methoxybenzene
OPENEYE Name: 1-(isothiocyanatomethyl)-3-methoxy-benzene
IUPAC Name: 1-(isothiocyanatomethyl)-3-methoxybenzene
SYSTEMATIC NAME: 1-(isothiocyanatomethyl)-3-methoxy-benzene
MOLECULAR FORMULA: C9H9NOS
MOLECULAR WEIGHT: 179.23886
SMILES: COC1=CC=CC(=C1)CN=C=S
Structure:
CAS RN: 79028-57-2
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(1R)-3-carboxy-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-5-oxidanyl-5-oxidanylidene-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
MOLECULAR FORMULA: C30H48O9
MOLECULAR WEIGHT: 552.69672
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C
Structure:
CAS RN: 74927-72-3
CAS Name: (2R)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-2-phenylacetic acid
OPENEYE Name: (2R)-2-[(3,5-dinitrobenzoyl)amino]-2-phenyl-acetic acid
IUPAC Name: (2R)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid
SYSTEMATIC NAME: (2R)-2-[(3,5-dinitrophenyl)carbonylamino]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C15H11N3O7
MOLECULAR WEIGHT: 345.26374
SMILES: C1=CC=C(C=C1)[C@H](C(=O)O)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 139526-94-6
CAS Name: O-(3-amino-2-fluoropropyl)hydroxylamine dihydrochloride
OPENEYE Name: O-(3-amino-2-fluoro-propyl)hydroxylamine dihydrochloride
IUPAC Name: O-(3-amino-2-fluoropropyl)hydroxylamine dihydrochloride
SYSTEMATIC NAME: O-(3-azanyl-2-fluoranyl-propyl)hydroxylamine dihydrochloride
MOLECULAR FORMULA: C3H11Cl2FN2O
MOLECULAR WEIGHT: 181.036643
SMILES: C(C(CON)F)N.Cl.Cl
Structure:
CAS RN: 139461-37-3
CAS Name: (2S)-2-amino-5-[[amino(prop-2-enylimino)methyl]amino]pentanoic acid
OPENEYE Name: (2S)-5-[(N'-allylcarbamimidoyl)amino]-2-amino-pentanoic acid
IUPAC Name: (2S)-2-amino-5-[(N'-prop-2-enylcarbamimidoyl)amino]pentanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[(N'-prop-2-enylcarbamimidoyl)amino]pentanoic acid
MOLECULAR FORMULA: C9H18N4O2
MOLECULAR WEIGHT: 214.26482
SMILES: C=CCN=C(N)NCCC[C@@H](C(=O)O)N
Structure:
CAS RN: 139460-96-1
CAS Name: 8-amino-3-(phenylmethyl)-7H-purin-6-one
OPENEYE Name: 8-amino-3-benzyl-7H-purin-6-one
IUPAC Name: 8-amino-3-benzyl-7H-purin-6-one
SYSTEMATIC NAME: 8-azanyl-3-(phenylmethyl)-7H-purin-6-one
MOLECULAR FORMULA: C12H11N5O
MOLECULAR WEIGHT: 241.24864
SMILES: C1=CC=C(C=C1)CN2C=NC(=O)C3=C2N=C(N3)N
Structure:
CAS RN: 139402-21-4
CAS Name: (3R,3aR,6R,6aS)-6-(1,3-benzodioxol-4-yl)-3-(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
OPENEYE Name: (3R,3aR,6R,6aS)-6-(1,3-benzodioxol-4-yl)-3-(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
IUPAC Name: (3R,3aR,6R,6aS)-6-(1,3-benzodioxol-4-yl)-3-(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
SYSTEMATIC NAME: (3R,3aR,6R,6aS)-6-(1,3-benzodioxol-4-yl)-3-(1,3-benzodioxol-5-yl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
MOLECULAR FORMULA: C20H16O7
MOLECULAR WEIGHT: 368.33684
SMILES: C1[C@@H]2[C@H]([C@@H](O1)C3=CC4=C(C=C3)OCO4)C(=O)O[C@H]2C5=C6C(=CC=C5)OCO6
Structure:
CAS RN: 139339-84-7
CAS Name: (1,6-dioxo-6-phosphonohexyl)phosphonic acid
OPENEYE Name: (6-oxo-6-phosphono-hexanoyl)phosphonic acid
IUPAC Name: (6-oxo-6-phosphonohexanoyl)phosphonic acid
SYSTEMATIC NAME: (6-oxidanylidene-6-phosphono-hexanoyl)phosphonic acid
MOLECULAR FORMULA: C6H12O8P2
MOLECULAR WEIGHT: 274.102202
SMILES: C(CCC(=O)P(=O)(O)O)CC(=O)P(=O)(O)O
Structure:
CAS RN: 139339-02-9
CAS Name: 5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
OPENEYE Name: 5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
IUPAC Name: 5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
SYSTEMATIC NAME: 5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
MOLECULAR FORMULA: C15H10N4O
MOLECULAR WEIGHT: 262.2661
SMILES: C1=CC=C(C=C1)N2C3=C(C=CC=N3)C4=C(C2=O)NC=N4
Structure:
CAS RN: 139299-34-6
CAS Name: (2R)-2-amino-6-[[amino(hydrazinyl)methylidene]amino]hexanoic acid
OPENEYE Name: (2R)-2-amino-6-[[amino(hydrazino)methylene]amino]hexanoic acid
IUPAC Name: (2R)-2-amino-6-[[amino(hydrazinyl)methylidene]amino]hexanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-6-[[azanyl(diazanyl)methylidene]amino]hexanoic acid
MOLECULAR FORMULA: C7H17N5O2
MOLECULAR WEIGHT: 203.24218
SMILES: C(CCN=C(N)NN)C[C@H](C(=O)O)N
Structure:
CAS RN: 139264-97-4
CAS Name: 2-[dimethylamino(mercapto)methoxy]ethyl-trimethylammonium bromide
OPENEYE Name: 2-[dimethylamino(sulfanyl)methoxy]ethyl-trimethyl-ammonium bromide
IUPAC Name: 2-[dimethylamino(sulfanyl)methoxy]ethyl-trimethylazanium bromide
SYSTEMATIC NAME: 2-[dimethylamino(sulfanyl)methoxy]ethyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C8H21BrN2OS
MOLECULAR WEIGHT: 273.23414
SMILES: CN(C)C(OCC[N+](C)(C)C)S.[Br-]
Structure:
CAS RN: 78492-56-5
CAS Name: 10-undecenoic acid [(8R,9S,13S,14S,17S)-13-methyl-3-(1-oxoundec-10-enoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,13S,14S,17S)-13-methyl-3-undec-10-enoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate
IUPAC Name: [(8R,9S,13S,14S,17S)-13-methyl-3-undec-10-enoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-3-undec-10-enoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate
MOLECULAR FORMULA: C40H60O4
MOLECULAR WEIGHT: 604.902
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C)CCC4=C3C=CC(=C4)OC(=O)CCCCCCCCC=C
Structure:
CAS RN: 7787-34-0
CAS Name: 4-[3-(4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol
OPENEYE Name: 4-[2-(4-hydroxyphenyl)-1,1,2-trimethyl-propyl]phenol
IUPAC Name: 4-[3-(4-hydroxyphenyl)-2,3-dimethylbutan-2-yl]phenol
SYSTEMATIC NAME: 4-[3-(4-hydroxyphenyl)-2,3-dimethyl-butan-2-yl]phenol
MOLECULAR FORMULA: C18H22O2
MOLECULAR WEIGHT: 270.36608
SMILES: CC(C)(C1=CC=C(C=C1)O)C(C)(C)C2=CC=C(C=C2)O
Structure:
CAS RN: 139263-57-3
CAS Name: N-[6-(3,6-diamino-10-acridin-10-iumyl)hexyl]-2-nitrobenzamide chloride
OPENEYE Name: N-[6-(3,6-diaminoacridin-10-ium-10-yl)hexyl]-2-nitro-benzamide chloride
IUPAC Name: N-[6-(3,6-diaminoacridin-10-ium-10-yl)hexyl]-2-nitrobenzamide chloride
SYSTEMATIC NAME: N-[6-[3,6-bis(azanyl)acridin-10-ium-10-yl]hexyl]-2-nitro-benzamide chloride
MOLECULAR FORMULA: C26H28ClN5O3
MOLECULAR WEIGHT: 493.98522
SMILES: C1=CC=C(C(=C1)C(=O)NCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 139263-56-2
CAS Name: 2-nitrobenzoic acid 6-(3,6-diamino-10-acridin-10-iumyl)hexyl ester chloride
OPENEYE Name: 6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 2-nitrobenzoate chloride
IUPAC Name: 6-(3,6-diaminoacridin-10-ium-10-yl)hexyl 2-nitrobenzoate chloride
SYSTEMATIC NAME: 6-[3,6-bis(azanyl)acridin-10-ium-10-yl]hexyl 2-nitrobenzoate chloride
MOLECULAR FORMULA: C26H27ClN4O4
MOLECULAR WEIGHT: 494.96998
SMILES: C1=CC=C(C(=C1)C(=O)OCCCCCC[N+]2=C3C=C(C=CC3=CC4=C2C=C(C=C4)N)N)[N+](=O)[O-].[Cl-]
Structure:
CAS RN: 139262-16-1
CAS Name: (2S)-2-amino-3-[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-oxomethoxy]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[(4-methyl-2-oxo-chromen-7-yl)carbamoyloxy]propanoic acid
IUPAC Name: (2S)-2-amino-3-[(4-methyl-2-oxochromen-7-yl)carbamoyloxy]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamoyloxy]propanoic acid
MOLECULAR FORMULA: C14H14N2O6
MOLECULAR WEIGHT: 306.27076
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)OC[C@@H](C(=O)O)N
Structure:
CAS RN: 139261-92-0
CAS Name: 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)-4-pyridinone
OPENEYE Name: 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
IUPAC Name: 1-ethyl-3-hydroxy-2-(1-hydroxyethyl)pyridin-4-one
SYSTEMATIC NAME: 1-ethyl-2-(1-hydroxyethyl)-3-oxidanyl-pyridin-4-one
MOLECULAR FORMULA: C9H13NO3
MOLECULAR WEIGHT: 183.20442
SMILES: CCN1C=CC(=O)C(=C1C(C)O)O
Structure:
CAS RN: 139239-73-9
CAS Name: 7-[(2R)-3-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]heptanoic acid
OPENEYE Name: 7-[(2R)-3-[[(2S)-2-amino-2-carboxy-ethoxy]-hydroxy-phosphoryl]oxy-2-hydroxy-propoxy]heptanoic acid
IUPAC Name: 7-[(2R)-3-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]heptanoic acid
SYSTEMATIC NAME: 7-[(2R)-3-[[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]heptanoic acid
MOLECULAR FORMULA: C13H26NO10P
MOLECULAR WEIGHT: 387.320001
SMILES: C(CCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O)CCC(=O)O
Structure:
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