[4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+](C)C

InChI

InChI=1S/C21H24N4OS/c1-14-8-7-9-15(2)20(14)24-19(26)13-27-21-16-10-5-6-11-17(16)22-18(23-21)12-25(3)4/h5-11H,12-13H2,1-4H3,(H,24,26)/p+1