CAS RN: 55947-85-8
CAS Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol; hydrochloride
OPENEYE Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol; hydrochloride
IUPAC Name: 2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide; 4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol; hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide; 4-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]benzene-1,2-diol; hydrochloride
MOLECULAR FORMULA: C23H36ClN3O4
MOLECULAR WEIGHT: 454.00264
SMILES: CCN(CC)CC(=O)NC1=C(C=CC=C1C)C.CNC[C@@H](C1=CC(=C(C=C1)O)O)O.Cl
Structure:
CAS RN: 55921-73-8
CAS Name: 4-butoxy-N-methyl-6-(4-methyl-1-piperazinyl)-5-(methylthio)-2-pyrimidinamine hydrochloride
OPENEYE Name: 4-butoxy-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine hydrochloride
IUPAC Name: 4-butoxy-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine hydrochloride
SYSTEMATIC NAME: 4-butoxy-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidin-2-amine hydrochloride
MOLECULAR FORMULA: C15H28ClN5OS
MOLECULAR WEIGHT: 361.93372
SMILES: CCCCOC1=NC(=NC(=C1SC)N2CCN(CC2)C)NC.Cl
Structure:
CAS RN: 55921-69-2
CAS Name: 4-chloro-2,6-bis(4-methyl-1-piperazinyl)-5-(methylthio)pyrimidine hydrochloride
OPENEYE Name: 4-chloro-2,6-bis(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidine hydrochloride
IUPAC Name: 4-chloro-2,6-bis(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidine hydrochloride
SYSTEMATIC NAME: 4-chloranyl-2,6-bis(4-methylpiperazin-1-yl)-5-methylsulfanyl-pyrimidine hydrochloride
MOLECULAR FORMULA: C15H26Cl2N6S
MOLECULAR WEIGHT: 393.37814
SMILES: CN1CCN(CC1)C2=C(C(=NC(=N2)N3CCN(CC3)C)Cl)SC.Cl
Structure:
CAS RN: 55916-27-3
CAS Name: acetic acid (1,3-dioxo-2-phenyl-4-indenyl) ester
OPENEYE Name: (1,3-dioxo-2-phenyl-indan-4-yl) acetate
IUPAC Name: (1,3-dioxo-2-phenylinden-4-yl) acetate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)-2-phenyl-inden-4-yl] ethanoate
MOLECULAR FORMULA: C17H12O4
MOLECULAR WEIGHT: 280.27478
SMILES: CC(=O)OC1=CC=CC2=C1C(=O)C(C2=O)C3=CC=CC=C3
Structure:
CAS RN: 55916-26-2
CAS Name: acetic acid (1,3-dioxo-2-phenyl-5-indenyl) ester
OPENEYE Name: (1,3-dioxo-2-phenyl-indan-5-yl) acetate
IUPAC Name: (1,3-dioxo-2-phenylinden-5-yl) acetate
SYSTEMATIC NAME: [1,3-bis(oxidanylidene)-2-phenyl-inden-5-yl] ethanoate
MOLECULAR FORMULA: C17H12O4
MOLECULAR WEIGHT: 280.27478
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(C2=O)C3=CC=CC=C3
Structure:
CAS RN: 55916-25-1
CAS Name: 5-fluoro-2-(2-naphthalenyl)indene-1,3-dione
OPENEYE Name: 5-fluoro-2-(2-naphthyl)indane-1,3-dione
IUPAC Name: 5-fluoro-2-naphthalen-2-ylindene-1,3-dione
SYSTEMATIC NAME: 5-fluoranyl-2-naphthalen-2-yl-indene-1,3-dione
MOLECULAR FORMULA: C19H11FO2
MOLECULAR WEIGHT: 290.287843
SMILES: C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=C(C3=O)C=C(C=C4)F
Structure:
CAS RN: 55916-24-0
CAS Name: 5-bromo-2-(3-methoxyphenyl)indene-1,3-dione
OPENEYE Name: 5-bromo-2-(3-methoxyphenyl)indane-1,3-dione
IUPAC Name: 5-bromo-2-(3-methoxyphenyl)indene-1,3-dione
SYSTEMATIC NAME: 5-bromanyl-2-(3-methoxyphenyl)indene-1,3-dione
MOLECULAR FORMULA: C16H11BrO3
MOLECULAR WEIGHT: 331.16074
SMILES: COC1=CC=CC(=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)Br
Structure:
CAS RN: 55916-23-9
CAS Name: 2-(3-methylphenyl)-1,3-dioxo-5-indenecarboxylic acid
OPENEYE Name: 2-(m-tolyl)-1,3-dioxo-indane-5-carboxylic acid
IUPAC Name: 2-(3-methylphenyl)-1,3-dioxoindene-5-carboxylic acid
SYSTEMATIC NAME: 2-(3-methylphenyl)-1,3-bis(oxidanylidene)indene-5-carboxylic acid
MOLECULAR FORMULA: C17H12O4
MOLECULAR WEIGHT: 280.27478
SMILES: CC1=CC=CC(=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
Structure:
CAS RN: 55916-21-7
CAS Name: 5-bromo-2-(hydroxymethyl)-2-(2-naphthalenyl)indene-1,3-dione
OPENEYE Name: 5-bromo-2-(hydroxymethyl)-2-(2-naphthyl)indane-1,3-dione
IUPAC Name: 5-bromo-2-(hydroxymethyl)-2-naphthalen-2-ylindene-1,3-dione
SYSTEMATIC NAME: 5-bromanyl-2-(hydroxymethyl)-2-naphthalen-2-yl-indene-1,3-dione
MOLECULAR FORMULA: C20H13BrO3
MOLECULAR WEIGHT: 381.21942
SMILES: C1=CC=C2C=C(C=CC2=C1)C3(C(=O)C4=C(C3=O)C=C(C=C4)Br)CO
Structure:
CAS RN: 55916-19-3
CAS Name: 5-bromo-2-(hydroxymethyl)-2-phenylindene-1,3-dione
OPENEYE Name: 5-bromo-2-(hydroxymethyl)-2-phenyl-indane-1,3-dione
IUPAC Name: 5-bromo-2-(hydroxymethyl)-2-phenylindene-1,3-dione
SYSTEMATIC NAME: 5-bromanyl-2-(hydroxymethyl)-2-phenyl-indene-1,3-dione
MOLECULAR FORMULA: C16H11BrO3
MOLECULAR WEIGHT: 331.16074
SMILES: C1=CC=C(C=C1)C2(C(=O)C3=C(C2=O)C=C(C=C3)Br)CO
Structure:
CAS RN: 55916-18-2
CAS Name: 2,5-dibromo-2-phenylindene-1,3-dione
OPENEYE Name: 2,5-dibromo-2-phenyl-indane-1,3-dione
IUPAC Name: 2,5-dibromo-2-phenylindene-1,3-dione
SYSTEMATIC NAME: 2,5-bis(bromanyl)-2-phenyl-indene-1,3-dione
MOLECULAR FORMULA: C15H8Br2O2
MOLECULAR WEIGHT: 380.03082
SMILES: C1=CC=C(C=C1)C2(C(=O)C3=C(C2=O)C=C(C=C3)Br)Br
Structure:
CAS RN: 55916-17-1
CAS Name: 4-hydroxy-2-(2-naphthalenyl)indene-1,3-dione
OPENEYE Name: 4-hydroxy-2-(2-naphthyl)indane-1,3-dione
IUPAC Name: 4-hydroxy-2-naphthalen-2-ylindene-1,3-dione
SYSTEMATIC NAME: 2-naphthalen-2-yl-4-oxidanyl-indene-1,3-dione
MOLECULAR FORMULA: C19H12O3
MOLECULAR WEIGHT: 288.29678
SMILES: C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=C(C3=O)C(=CC=C4)O
Structure:
CAS RN: 55916-15-9
CAS Name: 5-fluoro-2-phenylindene-1,3-dione
OPENEYE Name: 5-fluoro-2-phenyl-indane-1,3-dione
IUPAC Name: 5-fluoro-2-phenylindene-1,3-dione
SYSTEMATIC NAME: 5-fluoranyl-2-phenyl-indene-1,3-dione
MOLECULAR FORMULA: C15H9FO2
MOLECULAR WEIGHT: 240.229163
SMILES: C1=CC=C(C=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)F
Structure:
CAS RN: 55916-14-8
CAS Name: 4-fluoro-2-(3-methoxyphenyl)indene-1,3-dione
OPENEYE Name: 4-fluoro-2-(3-methoxyphenyl)indane-1,3-dione
IUPAC Name: 4-fluoro-2-(3-methoxyphenyl)indene-1,3-dione
SYSTEMATIC NAME: 4-fluoranyl-2-(3-methoxyphenyl)indene-1,3-dione
MOLECULAR FORMULA: C16H11FO3
MOLECULAR WEIGHT: 270.255143
SMILES: COC1=CC=CC(=C1)C2C(=O)C3=C(C2=O)C(=CC=C3)F
Structure:
CAS RN: 55912-09-9
CAS Name: 1-carbamimidoyl-1,2-dimethylguanidine; 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid
OPENEYE Name: 1-carbamimidoyl-1,2-dimethyl-guanidine; 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetic acid
IUPAC Name: 1-carbamimidoyl-1,2-dimethylguanidine; 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
SYSTEMATIC NAME: 1-carbamimidoyl-1,2-dimethyl-guanidine; 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoic acid
MOLECULAR FORMULA: C13H21N9O4
MOLECULAR WEIGHT: 367.36374
SMILES: CN=C(N)N(C)C(=N)N.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O
Structure:
CAS RN: 55905-94-7
CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-(4-phenyl-1-piperazinyl)ethyl ester dihydrochloride
OPENEYE Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate dihydrochloride
IUPAC Name: 2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride
SYSTEMATIC NAME: 2-(4-phenylpiperazin-1-yl)ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride
MOLECULAR FORMULA: C29H29Cl2F3N4O2
MOLECULAR WEIGHT: 593.46737
SMILES: C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC=CC=C5.Cl.Cl
Structure:
CAS RN: 55905-93-6
CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoic acid 2-[4-[3-(trifluoromethoxy)phenyl]-1-piperazinyl]ethyl ester dihydrochloride
OPENEYE Name: 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)-4-quinolyl]amino]benzoate dihydrochloride
IUPAC Name: 2-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride
SYSTEMATIC NAME: 2-[4-[3-(trifluoromethyloxy)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoate dihydrochloride
MOLECULAR FORMULA: C30H28Cl2F6N4O3
MOLECULAR WEIGHT: 677.464739
SMILES: C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)C(F)(F)F)C5=CC(=CC=C5)OC(F)(F)F.Cl.Cl
Structure:
CAS RN: 55901-77-4
CAS Name: 2-[4-[2-benzofuranyl(oxo)methyl]-2,3-dichlorophenoxy]acetic acid
OPENEYE Name: 2-[4-(benzofuran-2-carbonyl)-2,3-dichloro-phenoxy]acetic acid
IUPAC Name: 2-[4-(1-benzofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-(1-benzofuran-2-ylcarbonyl)-2,3-bis(chloranyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C17H10Cl2O5
MOLECULAR WEIGHT: 365.1643
SMILES: C1=CC=C2C(=C1)C=C(O2)C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl
Structure:
CAS RN: 55901-75-2
CAS Name: 2-[4-[1-benzothiophen-2-yl(oxo)methyl]-2,3-dichlorophenoxy]acetic acid
OPENEYE Name: 2-[4-(benzothiophene-2-carbonyl)-2,3-dichloro-phenoxy]acetic acid
IUPAC Name: 2-[4-(1-benzothiophene-2-carbonyl)-2,3-dichlorophenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-(1-benzothiophen-2-ylcarbonyl)-2,3-bis(chloranyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C17H10Cl2O4S
MOLECULAR WEIGHT: 381.2299
SMILES: C1=CC=C2C(=C1)C=C(S2)C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl
Structure:
CAS RN: 55901-73-0
CAS Name: 2-[4-[(5-bromo-2-furanyl)-oxomethyl]-2,3-dichlorophenoxy]acetic acid
OPENEYE Name: 2-[4-(5-bromofuran-2-carbonyl)-2,3-dichloro-phenoxy]acetic acid
IUPAC Name: 2-[4-(5-bromofuran-2-carbonyl)-2,3-dichlorophenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-(5-bromanylfuran-2-yl)carbonyl-2,3-bis(chloranyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C13H7BrCl2O5
MOLECULAR WEIGHT: 394.00168
SMILES: C1=CC(=C(C(=C1C(=O)C2=CC=C(O2)Br)Cl)Cl)OCC(=O)O
Structure:
CAS RN: 55894-18-3
CAS Name: tributyl(prop-2-enyl)phosphonium bromide
OPENEYE Name: allyl(tributyl)phosphonium bromide
IUPAC Name: tributyl(prop-2-enyl)phosphanium bromide
SYSTEMATIC NAME: tributyl(prop-2-enyl)phosphanium bromide
MOLECULAR FORMULA: C15H32BrP
MOLECULAR WEIGHT: 323.292341
SMILES: CCCC[P+](CCCC)(CCCC)CC=C.[Br-]
Structure:
CAS RN: 55884-03-2
CAS Name: 2-(3-diethoxyphosphorylpropoxymethyl)oxirane
OPENEYE Name: 2-(3-diethoxyphosphorylpropoxymethyl)oxirane
IUPAC Name: 2-(3-diethoxyphosphorylpropoxymethyl)oxirane
SYSTEMATIC NAME: 2-(3-diethoxyphosphorylpropoxymethyl)oxirane
MOLECULAR FORMULA: C10H21O5P
MOLECULAR WEIGHT: 252.244501
SMILES: CCOP(=O)(CCCOCC1CO1)OCC
Structure:
CAS RN: 55879-60-2
CAS Name: 4-[2-(diethylamino)ethyl]-3-pyrazino[2,3-b][1,4]thiazinone hydrochloride
OPENEYE Name: 4-[2-(diethylamino)ethyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
IUPAC Name: 4-[2-(diethylamino)ethyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
SYSTEMATIC NAME: 4-[2-(diethylamino)ethyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
MOLECULAR FORMULA: C12H19ClN4OS
MOLECULAR WEIGHT: 302.82346
SMILES: CCN(CC)CCN1C(=O)CSC2=NC=CN=C21.Cl
Structure:
CAS RN: 55879-59-9
CAS Name: 4-[2-(dimethylamino)ethyl]-3-pyrazino[2,3-b][1,4]thiazinone hydrochloride
OPENEYE Name: 4-[2-(dimethylamino)ethyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
IUPAC Name: 4-[2-(dimethylamino)ethyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
SYSTEMATIC NAME: 4-[2-(dimethylamino)ethyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
MOLECULAR FORMULA: C10H15ClN4OS
MOLECULAR WEIGHT: 274.7703
SMILES: CN(C)CCN1C(=O)CSC2=NC=CN=C21.Cl
Structure:
CAS RN: 55879-58-8
CAS Name: 4-[3-(dimethylamino)propyl]-3-pyrazino[2,3-b][1,4]thiazinone hydrochloride
OPENEYE Name: 4-[3-(dimethylamino)propyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
IUPAC Name: 4-[3-(dimethylamino)propyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
SYSTEMATIC NAME: 4-[3-(dimethylamino)propyl]pyrazino[2,3-b][1,4]thiazin-3-one hydrochloride
MOLECULAR FORMULA: C11H17ClN4OS
MOLECULAR WEIGHT: 288.79688
SMILES: CN(C)CCCN1C(=O)CSC2=NC=CN=C21.Cl
Structure:
CAS RN: 55877-04-8
CAS Name: 2,4,4-trimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-ol
OPENEYE Name: 7-(1,2-dimethylheptyl)-2,4,4-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
IUPAC Name: 2,4,4-trimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
SYSTEMATIC NAME: 2,4,4-trimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
MOLECULAR FORMULA: C24H36O2
MOLECULAR WEIGHT: 356.54144
SMILES: CCCCCC(C)C(C)C1=CC2=C(C3=C(CC(C3)C)C(O2)(C)C)C(=C1)O
Structure:
CAS RN: 55877-00-4
CAS Name: 1,4,4-trimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-ol
OPENEYE Name: 7-(1,2-dimethylheptyl)-1,4,4-trimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
IUPAC Name: 1,4,4-trimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
SYSTEMATIC NAME: 1,4,4-trimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
MOLECULAR FORMULA: C24H36O2
MOLECULAR WEIGHT: 356.54144
SMILES: CCCCCC(C)C(C)C1=CC2=C(C(=C1)O)C3=C(CCC3C)C(O2)(C)C
Structure:
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