(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate hydrochloride

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate hydrochloride Openeye Name: 3-isopentyl-2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea hydrochloride CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester hydrochloride IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate hydrochloride Traditional Name: 3-isoamyl-2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methyl]isothiourea hydrochloride Formula: C16H23ClN4OS MolecularWeight: 354.89802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)CSC(=NCCC(C)C)N.Cl

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)CSC(=NCCC(C)C)N.Cl

InChI

InChI=1S/C16H22N4OS.ClH/c1-10(2)7-8-18-16(17)22-9-13-19-14-11(3)5-4-6-12(14)15(21)20-13;/h4-6,10H,7-9H2,1-3H3,(H2,17,18)(H,19,20,21);1H