[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C20H22BrN4OS+ MolecularWeight: 446.38388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4OS/c1-13-10-14(8-9-16(13)21)22-19(26)12-27-20-15-6-4-5-7-17(15)23-18(24-20)11-25(2)3/h4-10H,11-12H2,1-3H3,(H,22,26)/p+1