[3-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-quinazolin-2-yl]methyl carbamimidothioate hydrobromide

Systemtic Name: [3-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-quinazolin-2-yl]methyl carbamimidothioate hydrobromide Openeye Name: 2-[[3-(2-methyl-5-nitro-phenyl)-4-oxo-quinazolin-2-yl]methyl]isothiourea hydrobromide CAS Name: carbamimidothioic 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 carbamimidothioate hydrobromide Traditional Name: 2-[[4-keto-3-(2-methyl-5-nitro-phenyl)quinazolin-2-yl]methyl]isothiourea hydrobromide Formula: C17H16BrN5O3S MolecularWeight: 450.30964

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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(=N)N.Br

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O3S.BrH/c1-10-6-7-11(22(24)25)8-14(10)21-15(9-26-17(18)19)20-13-5-3-2-4-12(13)16(21)23;/h2-8H,9H2,1H3,(H3,18,19);1H