(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-methylphenyl)sulfanylethyl]azanium

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-methylphenyl)sulfanylethyl]azanium Openeye Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(p-tolylsulfanyl)ethyl]ammonium CAS Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-[(4-methylphenyl)thio]ethyl]ammonium IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-[2-(4-methylphenyl)sulfanylethyl]azanium Traditional Name: ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-[2-(p-tolylthio)ethyl]ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCSC1=CC=C(C=C1)C)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

CC[NH+](CCSC1=CC=C(C=C1)C)CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C22H27N3O3S/c1-5-25(10-11-29-16-8-6-15(2)7-9-16)14-21-23-18-13-20(28-4)19(27-3)12-17(18)22(26)24-21/h6-9,12-13H,5,10-11,14H2,1-4H3,(H,23,24,26)/p+1