[3-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-quinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate hydrobromide

Systemtic Name: [3-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-quinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate hydrobromide Openeye Name: 1,3-dimethyl-2-[[3-(2-methyl-5-nitro-phenyl)-4-oxo-quinazolin-2-yl]methyl]isothiourea hydrobromide CAS Name: N,N'-dimethylcarbamimidothioic acid [3-(2-methyl-5-nitrophenyl)-4-oxo-2-quinazolinyl]methyl ester hydrobromide IUPAC Name: [3-(2-methyl-5-nitrophenyl)-4-oxoquinazolin-2-yl]methyl N,N'-dimethylcarbamimidothioate hydrobromide Traditional Name: 2-[[4-keto-3-(2-methyl-5-nitro-phenyl)quinazolin-2-yl]methyl]-1,3-dimethyl-isothiourea hydrobromide Formula: C19H20BrN5O3S MolecularWeight: 478.3628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=NC3=CC=CC=C3C2=O)CSC(=NC)NC.Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=NC3=CC=CC=C3C2=O)CSC(=NC)NC.Br

InChI

InChI=1S/C19H19N5O3S.BrH/c1-12-8-9-13(24(26)27)10-16(12)23-17(11-28-19(20-2)21-3)22-15-7-5-4-6-14(15)18(23)25;/h4-10H,11H2,1-3H3,(H,20,21);1H