CAS RN: 16960-31-9
CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-propanesulfonic acid
OPENEYE Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propane-1-sulfonic acid
IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline; 3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propane-1-sulfonic acid
SYSTEMATIC NAME: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline; 3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propane-1-sulfonic acid
MOLECULAR FORMULA: C30H35N5O9S
MOLECULAR WEIGHT: 641.692
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCS(=O)(=O)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Structure:
CAS RN: 16958-73-9
CAS Name: bromo-(bromomethylthio)methane
OPENEYE Name: bromo(bromomethylsulfanyl)methane
IUPAC Name: bromo(bromomethylsulfanyl)methane
SYSTEMATIC NAME: bromanyl(bromomethylsulfanyl)methane
MOLECULAR FORMULA: C2H4Br2S
MOLECULAR WEIGHT: 219.92616
SMILES: C(SCBr)Br
Structure:
CAS RN: 16948-63-3
CAS Name: 2-amino-4,5-dichlorobenzenesulfonamide
OPENEYE Name: 2-amino-4,5-dichloro-benzenesulfonamide
IUPAC Name: 2-amino-4,5-dichlorobenzenesulfonamide
SYSTEMATIC NAME: 2-azanyl-4,5-bis(chloranyl)benzenesulfonamide
MOLECULAR FORMULA: C6H6Cl2N2O2S
MOLECULAR WEIGHT: 241.09504
SMILES: C1=C(C(=CC(=C1Cl)Cl)S(=O)(=O)N)N
Structure:
CAS RN: 16931-84-3
CAS Name: 2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one hydrochloride
OPENEYE Name: 2-[(dimethylamino)methyl]indan-1-one hydrochloride
IUPAC Name: 2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one hydrochloride
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]-2,3-dihydroinden-1-one hydrochloride
MOLECULAR FORMULA: C12H16ClNO
MOLECULAR WEIGHT: 225.71454
SMILES: CN(C)CC1CC2=CC=CC=C2C1=O.Cl
Structure:
CAS RN: 16928-93-1
CAS Name: 2-[(2,4-dichlorophenyl)thio]-N,N-dimethylethanamine hydrochloride
OPENEYE Name: 2-(2,4-dichlorophenyl)sulfanyl-N,N-dimethyl-ethanamine hydrochloride
IUPAC Name: 2-(2,4-dichlorophenyl)sulfanyl-N,N-dimethylethanamine hydrochloride
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)sulfanyl-N,N-dimethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C10H14Cl3NS
MOLECULAR WEIGHT: 286.64886
SMILES: CN(C)CCSC1=C(C=C(C=C1)Cl)Cl.Cl
Structure:
CAS RN: 16926-52-6
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenylpiperazine; methanesulfonic acid
OPENEYE Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenyl-piperazine; methanesulfonic acid
IUPAC Name: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenylpiperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-phenyl-piperazine; methanesulfonic acid
MOLECULAR FORMULA: C25H28N2O3S2
MOLECULAR WEIGHT: 468.63142
SMILES: CS(=O)(=O)O.C1CN(CCN1C2CC3=CC=CC=C3SC4=CC=CC=C24)C5=CC=CC=C5
Structure:
CAS RN: 16908-80-8
CAS Name: carbamic acid (2-amino-3,8-dihydroxy-7-methyl-5,6-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl ester
OPENEYE Name: (2-amino-3,8-dihydroxy-7-methyl-5,6-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate
IUPAC Name: (2-amino-3,8-dihydroxy-7-methyl-5,6-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl carbamate
SYSTEMATIC NAME: [2-azanyl-7-methyl-3,8-bis(oxidanyl)-5,6-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl carbamate
MOLECULAR FORMULA: C14H15N3O6
MOLECULAR WEIGHT: 321.2854
SMILES: CC1=C(C2=C(C(=C3N2CC(C3O)N)COC(=O)N)C(=O)C1=O)O
Structure:
CAS RN: 16899-89-1
CAS Name: 2-methylbutanoic acid 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl ester
OPENEYE Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylbutanoate
IUPAC Name: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylbutanoate
SYSTEMATIC NAME: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl 2-methylbutanoate
MOLECULAR FORMULA: C14H25NO2
MOLECULAR WEIGHT: 239.3538
SMILES: CCC(C)C(=O)OC1CCCN2C1CCCC2
Structure:
CAS RN: 16899-00-6
CAS Name: N'-[(4-ethoxy-3-fluorophenyl)methyl]-N,N-dimethyl-N'-(2-pyridinyl)ethane-1,2-diamine hydrochloride
OPENEYE Name: N'-[(4-ethoxy-3-fluoro-phenyl)methyl]-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine hydrochloride
IUPAC Name: N'-[(4-ethoxy-3-fluorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N'-[(4-ethoxy-3-fluoranyl-phenyl)methyl]-N,N-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C18H25ClFN3O
MOLECULAR WEIGHT: 353.862003
SMILES: CCOC1=C(C=C(C=C1)CN(CCN(C)C)C2=CC=CC=N2)F.Cl
Structure:
CAS RN: 16898-98-9
CAS Name: N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyridinyl)ethane-1,2-diamine hydrochloride
OPENEYE Name: N'-[(3-fluoro-4-methoxy-phenyl)methyl]-N,N-dimethyl-N'-(2-pyridyl)ethane-1,2-diamine hydrochloride
IUPAC Name: N'-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N'-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N,N-dimethyl-N'-pyridin-2-yl-ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C17H23ClFN3O
MOLECULAR WEIGHT: 339.835423
SMILES: CN(C)CCN(CC1=CC(=C(C=C1)OC)F)C2=CC=CC=N2.Cl
Structure:
CAS RN: 16891-97-7
CAS Name: N-(2-bromoethyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylethanamine hydrobromide
OPENEYE Name: N-(2-bromoethyl)-2-(4-chloro-2-isopropyl-5-methyl-phenoxy)-N-ethyl-ethanamine hydrobromide
IUPAC Name: N-(2-bromoethyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylethanamine hydrobromide
SYSTEMATIC NAME: N-(2-bromoethyl)-2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)-N-ethyl-ethanamine hydrobromide
MOLECULAR FORMULA: C16H26Br2ClNO
MOLECULAR WEIGHT: 443.64474
SMILES: CCN(CCOC1=C(C=C(C(=C1)C)Cl)C(C)C)CCBr.Br
Structure:
CAS RN: 16872-28-9
CAS Name: naphthalene-1,5-disulfonic acid; 3-pyridinecarboxylic acid [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] ester
OPENEYE Name: [4-[2-(dimethylamino)ethoxy]-5-isopropyl-2-methyl-phenyl] pyridine-3-carboxylate; naphthalene-1,5-disulfonic acid
IUPAC Name: [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] pyridine-3-carboxylate; naphthalene-1,5-disulfonic acid
SYSTEMATIC NAME: [4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-yl-phenyl] pyridine-3-carboxylate; naphthalene-1,5-disulfonic acid
MOLECULAR FORMULA: C30H34N2O9S2
MOLECULAR WEIGHT: 630.72896
SMILES: CC1=CC(=C(C=C1OC(=O)C2=CN=CC=C2)C(C)C)OCCN(C)C.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O
Structure:
CAS RN: 16870-74-9
CAS Name: 2-bromo-2-(1-naphthalenyl)indene-1,3-dione
OPENEYE Name: 2-bromo-2-(1-naphthyl)indane-1,3-dione
IUPAC Name: 2-bromo-2-naphthalen-1-ylindene-1,3-dione
SYSTEMATIC NAME: 2-bromanyl-2-naphthalen-1-yl-indene-1,3-dione
MOLECULAR FORMULA: C19H11BrO2
MOLECULAR WEIGHT: 351.19344
SMILES: C1=CC=C2C(=C1)C=CC=C2C3(C(=O)C4=CC=CC=C4C3=O)Br
Structure:
CAS RN: 16870-63-6
CAS Name: 3-(1-azepanyl)-1-(4-butoxyphenyl)-1-propanone
OPENEYE Name: 3-(azepan-1-yl)-1-(4-butoxyphenyl)propan-1-one
IUPAC Name: 3-(azepan-1-yl)-1-(4-butoxyphenyl)propan-1-one
SYSTEMATIC NAME: 3-(azepan-1-yl)-1-(4-butoxyphenyl)propan-1-one
MOLECULAR FORMULA: C19H29NO2
MOLECULAR WEIGHT: 303.43906
SMILES: CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCCC2
Structure:
CAS RN: 16870-03-4
CAS Name: 5-bromo-2-(2-naphthalenyl)indene-1,3-dione
OPENEYE Name: 5-bromo-2-(2-naphthyl)indane-1,3-dione
IUPAC Name: 5-bromo-2-naphthalen-2-ylindene-1,3-dione
SYSTEMATIC NAME: 5-bromanyl-2-naphthalen-2-yl-indene-1,3-dione
MOLECULAR FORMULA: C19H11BrO2
MOLECULAR WEIGHT: 351.19344
SMILES: C1=CC=C2C=C(C=CC2=C1)C3C(=O)C4=C(C3=O)C=C(C=C4)Br
Structure:
CAS RN: 16840-96-3
CAS Name: oxovanadium; sulfuric acid; dihydrate
OPENEYE Name: oxovanadium; sulfuric acid; dihydrate
IUPAC Name: oxovanadium; sulfuric acid; dihydrate
SYSTEMATIC NAME: oxidanylidenevanadium; sulfuric acid; dihydrate
MOLECULAR FORMULA: H6O7SV
MOLECULAR WEIGHT: 201.04994
SMILES: O.O.OS(=O)(=O)O.O=[V]
Structure:
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