CAS RN: 21303-44-6
CAS Name: 3-[(2-nitrophenyl)hydrazo]-2-oxo-5-indolesulfonic acid
OPENEYE Name: 3-[2-(2-nitrophenyl)hydrazino]-2-oxo-indole-5-sulfonic acid
IUPAC Name: 3-[2-(2-nitrophenyl)hydrazinyl]-2-oxoindole-5-sulfonic acid
SYSTEMATIC NAME: 3-[2-(2-nitrophenyl)hydrazinyl]-2-oxidanylidene-indole-5-sulfonic acid
MOLECULAR FORMULA: C14H10N4O6S
MOLECULAR WEIGHT: 362.3174
SMILES: C1=CC=C(C(=C1)NNC2=C3C=C(C=CC3=NC2=O)S(=O)(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 27132-52-1
CAS Name: 7,8-dimethyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
OPENEYE Name: 7,8-dimethyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
IUPAC Name: 7,8-dimethyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
SYSTEMATIC NAME: 7,8-dimethyl-1H-pyrimido[4,5-b]quinoline-2,4-dione
MOLECULAR FORMULA: C13H11N3O2
MOLECULAR WEIGHT: 241.24534
SMILES: CC1=CC2=CC3=C(NC(=O)NC3=O)N=C2C=C1C
Structure:
CAS RN: 574-77-6
CAS Name: 1-[(3,4-dihydroxyphenyl)methyl]isoquinolin-2-ium-6,7-diol bromide
OPENEYE Name: 1-[(3,4-dihydroxyphenyl)methyl]isoquinolin-2-ium-6,7-diol bromide
IUPAC Name: 1-[(3,4-dihydroxyphenyl)methyl]isoquinolin-2-ium-6,7-diol bromide
SYSTEMATIC NAME: 1-[[3,4-bis(oxidanyl)phenyl]methyl]isoquinolin-2-ium-6,7-diol bromide
MOLECULAR FORMULA: C16H14BrNO4
MOLECULAR WEIGHT: 364.19066
SMILES: C1=CC(=C(C=C1CC2=[NH+]C=CC3=CC(=C(C=C32)O)O)O)O.[Br-]
Structure:
CAS RN: 42927-05-9
CAS Name: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid
OPENEYE Name: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid
IUPAC Name: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid
SYSTEMATIC NAME: 1,4-bis(1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol; methanesulfonic acid
MOLECULAR FORMULA: C19H22N4O7S
MOLECULAR WEIGHT: 450.46558
SMILES: CS(=O)(=O)O.C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C3=NC4=CC=CC=C4N3)O)O)O)O
Structure:
CAS RN: 51385-47-8
CAS Name: [9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]-trimethylammonium chloride
OPENEYE Name: [9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-trimethyl-ammonium chloride
IUPAC Name: [9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium chloride
SYSTEMATIC NAME: [9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C13H20ClN5O3
MOLECULAR WEIGHT: 329.7826
SMILES: C[N+](C)(C)C1=NC=NC2=C1N=CN2C3CC(C(O3)CO)O.[Cl-]
Structure:
CAS RN: 2113-06-6
CAS Name: 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine hydrochloride
OPENEYE Name: 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine hydrochloride
IUPAC Name: 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine hydrochloride
SYSTEMATIC NAME: 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine hydrochloride
MOLECULAR FORMULA: C15H24ClN5
MOLECULAR WEIGHT: 309.83756
SMILES: CC1(N=C(N=C(N1CCCCC2=CC=CC=C2)N)N)C.Cl
Structure:
CAS RN: 92610-88-3
CAS Name: (2Z)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
OPENEYE Name: (2Z)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazono]propanoic acid
IUPAC Name: (2Z)-2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
SYSTEMATIC NAME: (2Z)-2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)hydrazinylidene]propanoic acid
MOLECULAR FORMULA: C8H10N4O3
MOLECULAR WEIGHT: 210.19
SMILES: CC1=CC(=O)N=C(N1)N/N=C(/C)\C(=O)O
Structure:
CAS RN: 4436-74-2
CAS Name: (E)-3-hexenedioic acid
OPENEYE Name: (E)-hex-3-enedioic acid
IUPAC Name: (E)-hex-3-enedioic acid
SYSTEMATIC NAME: (E)-hex-3-enedioic acid
MOLECULAR FORMULA: C6H8O4
MOLECULAR WEIGHT: 144.12532
SMILES: C(/C=C/CC(=O)O)C(=O)O
Structure:
CAS RN: 4003-36-5
CAS Name: N-[4-[(9,10-dioxo-2-anthracenyl)amino]-9,10-dioxo-1-anthracenyl]benzamide
OPENEYE Name: N-[4-[(9,10-dioxo-2-anthryl)amino]-9,10-dioxo-1-anthryl]benzamide
IUPAC Name: N-[4-[(9,10-dioxoanthracen-2-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide
SYSTEMATIC NAME: N-[4-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-9,10-bis(oxidanylidene)anthracen-1-yl]benzamide
MOLECULAR FORMULA: C35H20N2O5
MOLECULAR WEIGHT: 548.5437
SMILES: C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7C3=O
Structure:
CAS RN: 7150-86-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H29IN2O
MOLECULAR WEIGHT: 380.30803
SMILES: CC12CN(CC1(C3CCC2O3)C)CC[N+](C)(C)C.[I-]
Structure:
CAS RN: 68743-16-8
CAS Name: [2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]-trimethylammonium chloride
OPENEYE Name: [2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]-trimethyl-ammonium chloride
IUPAC Name: [2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium chloride
SYSTEMATIC NAME: [2-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]-trimethyl-azanium chloride
MOLECULAR FORMULA: C13H21ClN6O4
MOLECULAR WEIGHT: 360.79664
SMILES: C[N+](C)(C)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N.[Cl-]
Structure:
CAS RN: 7356-44-7
CAS Name: 2-amino-3-(6-nitro-1H-indol-3-yl)propanoic acid; nitric acid
OPENEYE Name: 2-amino-3-(6-nitro-1H-indol-3-yl)propanoic acid; nitric acid
IUPAC Name: 2-amino-3-(6-nitro-1H-indol-3-yl)propanoic acid; nitric acid
SYSTEMATIC NAME: 2-azanyl-3-(6-nitro-1H-indol-3-yl)propanoic acid; nitric acid
MOLECULAR FORMULA: C11H12N4O7
MOLECULAR WEIGHT: 312.23558
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])NC=C2CC(C(=O)O)N.[N+](=O)(O)[O-]
Structure:
CAS RN: 7148-70-1
CAS Name: trimethyl-[2-oxo-2-[[(Z)-(2-oxo-1-naphthalenylidene)methyl]hydrazo]ethyl]ammonium chloride
OPENEYE Name: trimethyl-[2-oxo-2-[2-[(Z)-(2-oxo-1-naphthylidene)methyl]hydrazino]ethyl]ammonium chloride
IUPAC Name: trimethyl-[2-oxo-2-[2-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]hydrazinyl]ethyl]azanium chloride
SYSTEMATIC NAME: trimethyl-[2-oxidanylidene-2-[2-[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]hydrazinyl]ethyl]azanium chloride
MOLECULAR FORMULA: C16H20ClN3O2
MOLECULAR WEIGHT: 321.8019
SMILES: C[N+](C)(C)CC(=O)NN/C=C/1\C(=O)C=CC2=CC=CC=C21.[Cl-]
Structure:
CAS RN: 7072-40-4
CAS Name: carbamimidothioic acid 3-aminopropyl ester bromide
OPENEYE Name: 2-(3-aminopropyl)isothiourea bromide
IUPAC Name: 3-aminopropyl carbamimidothioate bromide
SYSTEMATIC NAME: 3-azanylpropyl carbamimidothioate bromide
MOLECULAR FORMULA: C4H11BrN3S-
MOLECULAR WEIGHT: 213.11924
SMILES: C(CN)CSC(=N)N.[Br-]
Structure:
CAS RN: 114-49-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H21BrNO4-
MOLECULAR WEIGHT: 383.25694
SMILES: CN1[C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.[Br-]
Structure:
CAS RN: 90223-74-8
CAS Name: N-prop-2-enyl-7H-purine-6-sulfonamide
OPENEYE Name: N-allyl-7H-purine-6-sulfonamide
IUPAC Name: N-prop-2-enyl-7H-purine-6-sulfonamide
SYSTEMATIC NAME: N-prop-2-enyl-7H-purine-6-sulfonamide
MOLECULAR FORMULA: C8H9N5O2S
MOLECULAR WEIGHT: 239.25436
SMILES: C=CCNS(=O)(=O)C1=NC=NC2=C1NC=N2
Structure:
CAS RN: 7460-53-9
CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one iodide
OPENEYE Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one iodide
IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one iodide
SYSTEMATIC NAME: 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one iodide
MOLECULAR FORMULA: C23H26INO5
MOLECULAR WEIGHT: 523.36071
SMILES: CC1=CC(=O)OC2=CC3=C(C[N+](CO3)(C)CCC4=CC(=C(C=C4)OC)OC)C=C12.[I-]
Structure:
CAS RN: 89695-09-0
CAS Name: 6-chloro-N,N-dimethyl-7H-purine-2-sulfonamide
OPENEYE Name: 6-chloro-N,N-dimethyl-7H-purine-2-sulfonamide
IUPAC Name: 6-chloro-N,N-dimethyl-7H-purine-2-sulfonamide
SYSTEMATIC NAME: 6-chloranyl-N,N-dimethyl-7H-purine-2-sulfonamide
MOLECULAR FORMULA: C7H8ClN5O2S
MOLECULAR WEIGHT: 261.68872
SMILES: CN(C)S(=O)(=O)C1=NC2=C(C(=N1)Cl)NC=N2
Structure:
CAS RN: 7255-73-4
CAS Name: (Z)-4-[(7-fluoro-9-oxo-2-fluorenyl)amino]-4-oxo-2-butenoic acid
OPENEYE Name: (Z)-4-[(7-fluoro-9-oxo-fluoren-2-yl)amino]-4-oxo-but-2-enoic acid
IUPAC Name: (Z)-4-[(7-fluoro-9-oxofluoren-2-yl)amino]-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (Z)-4-[(7-fluoranyl-9-oxidanylidene-fluoren-2-yl)amino]-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C17H10FNO4
MOLECULAR WEIGHT: 311.264003
SMILES: C1=CC2=C(C=C1NC(=O)/C=C\C(=O)O)C(=O)C3=C2C=CC(=C3)F
Structure:
CAS RN: 6939-46-4
CAS Name: 4-(1H-benzimidazol-2-ylmethylamino)benzenesulfonamide chloride
OPENEYE Name: 4-(1H-benzimidazol-2-ylmethylamino)benzenesulfonamide chloride
IUPAC Name: 4-(1H-benzimidazol-2-ylmethylamino)benzenesulfonamide chloride
SYSTEMATIC NAME: 4-(1H-benzimidazol-2-ylmethylamino)benzenesulfonamide chloride
MOLECULAR FORMULA: C14H14ClN4O2S-
MOLECULAR WEIGHT: 337.80456
SMILES: C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)S(=O)(=O)N.[Cl-]
Structure:
CAS RN: 5845-29-4
CAS Name: 1-(3-bromopropyl)-4-methylpiperazine hydrobromide
OPENEYE Name: 1-(3-bromopropyl)-4-methyl-piperazine hydrobromide
IUPAC Name: 1-(3-bromopropyl)-4-methylpiperazine hydrobromide
SYSTEMATIC NAME: 1-(3-bromanylpropyl)-4-methyl-piperazine hydrobromide
MOLECULAR FORMULA: C8H18Br2N2
MOLECULAR WEIGHT: 302.04992
SMILES: CN1CCN(CC1)CCCBr.Br
Structure:
CAS RN: 83285-95-4
CAS Name: trimethyl-[9-(2-oxanyl)-6-purinyl]ammonium chloride
OPENEYE Name: trimethyl-(9-tetrahydropyran-2-ylpurin-6-yl)ammonium chloride
IUPAC Name: trimethyl-[9-(oxan-2-yl)purin-6-yl]azanium chloride
SYSTEMATIC NAME: trimethyl-[9-(oxan-2-yl)purin-6-yl]azanium chloride
MOLECULAR FORMULA: C13H20ClN5O
MOLECULAR WEIGHT: 297.7838
SMILES: C[N+](C)(C)C1=NC=NC2=C1N=CN2C3CCCCO3.[Cl-]
Structure:
CAS RN: 3166-77-6
CAS Name: 2-(2,3,5-trimethoxyphenyl)ethanamine chloride
OPENEYE Name: 2-(2,3,5-trimethoxyphenyl)ethanamine chloride
IUPAC Name: 2-(2,3,5-trimethoxyphenyl)ethanamine chloride
SYSTEMATIC NAME: 2-(2,3,5-trimethoxyphenyl)ethanamine chloride
MOLECULAR FORMULA: C11H17ClNO3-
MOLECULAR WEIGHT: 246.71058
SMILES: COC1=CC(=C(C(=C1)CCN)OC)OC.[Cl-]
Structure:
CAS RN: 6344-96-3
CAS Name: 3-(4,5-dihydro-1H-imidazol-2-ylthio)propanoic acid chloride
OPENEYE Name: 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid chloride
IUPAC Name: 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid chloride
SYSTEMATIC NAME: 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid chloride
MOLECULAR FORMULA: C6H10ClN2O2S-
MOLECULAR WEIGHT: 209.6738
SMILES: C1CN=C(N1)SCCC(=O)O.[Cl-]
Structure:
CAS RN: 6327-15-7
CAS Name: 2-amino-6,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-amino-6,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one
IUPAC Name: 2-amino-6,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6,7-dimethyl-1H-pyrido[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: CC1=C(N=C2C(=C1)C(=O)N=C(N2)N)C
Structure:
CAS RN: 3712-88-7
CAS Name: 1-(2-phenylethyl)-2-(phenylmethyl)-4,5-dihydroimidazole chloride
OPENEYE Name: 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole chloride
IUPAC Name: 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole chloride
SYSTEMATIC NAME: 1-(2-phenylethyl)-2-(phenylmethyl)-4,5-dihydroimidazole chloride
MOLECULAR FORMULA: C18H20ClN2-
MOLECULAR WEIGHT: 299.8178
SMILES: C1CN(C(=N1)CC2=CC=CC=C2)CCC3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 6342-04-7
CAS Name: (5-tert-butyl-2-hydroxyphenyl)methyl-trimethylammonium iodide
OPENEYE Name: (5-tert-butyl-2-hydroxy-phenyl)methyl-trimethyl-ammonium iodide
IUPAC Name: (5-tert-butyl-2-hydroxyphenyl)methyl-trimethylazanium iodide
SYSTEMATIC NAME: (5-tert-butyl-2-oxidanyl-phenyl)methyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C14H24INO
MOLECULAR WEIGHT: 349.25093
SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C[N+](C)(C)C.[I-]
Structure:
CAS RN: 34283-85-7
CAS Name: 2-(4,5-dihydro-1H-imidazol-2-ylthio)acetic acid chloride
OPENEYE Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetic acid chloride
IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetic acid chloride
SYSTEMATIC NAME: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethanoic acid chloride
MOLECULAR FORMULA: C5H8ClN2O2S-
MOLECULAR WEIGHT: 195.64722
SMILES: C1CN=C(N1)SCC(=O)O.[Cl-]
Structure:
CAS RN: 23609-65-6
CAS Name: N4-(4-imino-1,2-dimethyl-6-quinolinyl)-1,6-dimethylpyrimidin-1-ium-2,4-diamine
OPENEYE Name: N4-(4-imino-1,2-dimethyl-6-quinolyl)-1,6-dimethyl-pyrimidin-1-ium-2,4-diamine
IUPAC Name: 4-N-(4-imino-1,2-dimethylquinolin-6-yl)-1,6-dimethylpyrimidin-1-ium-2,4-diamine
SYSTEMATIC NAME: N4-(4-azanylidene-1,2-dimethyl-quinolin-6-yl)-1,6-dimethyl-pyrimidin-1-ium-2,4-diamine
MOLECULAR FORMULA: C17H21N6+
MOLECULAR WEIGHT: 309.38884
SMILES: CC1=CC(=N)C2=C(N1C)C=CC(=C2)NC3=NC(=[N+](C(=C3)C)C)N
Structure:
CAS RN: 20493-41-8
CAS Name: N4-(4-imino-1,2-dimethyl-6-quinolinyl)-1,6-dimethylpyrimidin-1-ium-2,4-diamine
OPENEYE Name: N4-(4-imino-1,2-dimethyl-6-quinolyl)-1,6-dimethyl-pyrimidin-1-ium-2,4-diamine
IUPAC Name: 4-N-(4-imino-1,2-dimethylquinolin-6-yl)-1,6-dimethylpyrimidin-1-ium-2,4-diamine
SYSTEMATIC NAME: N4-(4-azanylidene-1,2-dimethyl-quinolin-6-yl)-1,6-dimethyl-pyrimidin-1-ium-2,4-diamine
MOLECULAR FORMULA: C17H21N6+
MOLECULAR WEIGHT: 309.38884
SMILES: CC1=CC(=N)C2=C(N1C)C=CC(=C2)NC3=NC(=[N+](C(=C3)C)C)N
Structure:
CAS RN: 6642-09-7
CAS Name: 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol chloride
OPENEYE Name: 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol chloride
IUPAC Name: 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol chloride
SYSTEMATIC NAME: 4-tert-butyl-2-[(cyclohexylamino)methyl]-6-[(dimethylamino)methyl]phenol chloride
MOLECULAR FORMULA: C20H34ClN2O-
MOLECULAR WEIGHT: 353.94976
SMILES: CC(C)(C)C1=CC(=C(C(=C1)CN(C)C)O)CNC2CCCCC2.[Cl-]
Structure:
CAS RN: 6641-57-2
CAS Name: [(E)-(4-methoxyphenyl)methylideneamino]carbamic acid
OPENEYE Name: [(E)-(4-methoxyphenyl)methyleneamino]carbamic acid
IUPAC Name: [(E)-(4-methoxyphenyl)methylideneamino]carbamic acid
SYSTEMATIC NAME: [(E)-(4-methoxyphenyl)methylideneamino]carbamic acid
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: COC1=CC=C(C=C1)/C=N/NC(=O)O
Structure:
CAS RN: 6300-36-3
CAS Name: 2-[(2Z)-2-(2,4-dioxo-1H-quinolin-3-ylidene)hydrazinyl]-N,N,5-trimethylbenzenesulfonamide
OPENEYE Name: 2-[(2Z)-2-(2,4-dioxo-1H-quinolin-3-ylidene)hydrazino]-N,N,5-trimethyl-benzenesulfonamide
IUPAC Name: 2-[(2Z)-2-(2,4-dioxo-1H-quinolin-3-ylidene)hydrazinyl]-N,N,5-trimethylbenzenesulfonamide
SYSTEMATIC NAME: 2-[(2Z)-2-[2,4-bis(oxidanylidene)-1H-quinolin-3-ylidene]hydrazinyl]-N,N,5-trimethyl-benzenesulfonamide
MOLECULAR FORMULA: C18H18N4O4S
MOLECULAR WEIGHT: 386.42492
SMILES: CC1=CC(=C(C=C1)N/N=C\2/C(=O)C3=CC=CC=C3NC2=O)S(=O)(=O)N(C)C
Structure:
CAS RN: 1993-23-3
CAS Name: acetic acid [(3S,8R,9S,10R,13S,14S,16E)-16-(1-acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8R,9S,10R,13S,14S,16E)-16-(1-acetoxy-2,2,2-trifluoro-ethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,8R,9S,10R,13S,14S,16E)-16-(1-acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8R,9S,10R,13S,14S,16E)-16-[1-acetyloxy-2,2,2-tris(fluoranyl)ethylidene]-10,13-dimethyl-17-oxidanylidene-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H31F3O5
MOLECULAR WEIGHT: 468.50585
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)C/C(=C(/C(F)(F)F)\OC(=O)C)/C4=O)C)C
Structure:
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