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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-3-isobutyl-isothiourea Formula: C14H17ClN4OS MolecularWeight: 324.82898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4OS/c1-8(2)6-17-14(16)21-7-12-18-11-5-9(15)3-4-10(11)13(20)19-12/h3-5,8H,6-7H2,1-2H3,(H2,16,17)(H,18,19,20)