[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl N'-azanylcarbamimidothioate

Systemtic Name: [3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl N'-azanylcarbamimidothioate Openeye Name: 3-amino-2-[[3-(o-tolyl)-4-oxo-quinazolin-2-yl]methyl]isothiourea CAS Name: N'-aminocarbamimidothioic acid [3-(2-methylphenyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl N'-aminocarbamimidothioate Traditional Name: 3-amino-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]methyl]isothiourea Formula: C17H17N5OS MolecularWeight: 339.41478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=NN)N

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CS/C(=N/N)/N

InChI

InChI=1S/C17H17N5OS/c1-11-6-2-5-9-14(11)22-15(10-24-17(18)21-19)20-13-8-4-3-7-12(13)16(22)23/h2-9H,10,19H2,1H3,(H2,18,21)