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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-isoamyl-isothiourea Formula: C15H19ClN4OS MolecularWeight: 338.85556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

Isomeric SMILES

CC(C)CCN=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl

InChI

InChI=1S/C15H19ClN4OS/c1-9(2)5-6-18-15(17)22-8-13-19-12-7-10(16)3-4-11(12)14(21)20-13/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18)(H,19,20,21)