[4-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(2,5-dimethoxyanilino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(2,5-dimethoxyanilino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C21H25N4O3S+ MolecularWeight: 413.5132

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H24N4O3S/c1-25(2)12-19-22-16-8-6-5-7-15(16)21(24-19)29-13-20(26)23-17-11-14(27-3)9-10-18(17)28-4/h5-11H,12-13H2,1-4H3,(H,23,26)/p+1