(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate hydrochloride

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate hydrochloride Openeye Name: 3-allyl-2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea hydrochloride CAS Name: N'-prop-2-enylcarbamimidothioic acid (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl ester hydrochloride IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate hydrochloride Traditional Name: 3-allyl-2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]isothiourea hydrochloride Formula: C15H19ClN4O3S MolecularWeight: 370.85436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC(=NCC=C)N)OC.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC(=NCC=C)N)OC.Cl

InChI

InChI=1S/C15H18N4O3S.ClH/c1-4-5-17-15(16)23-8-13-18-10-7-12(22-3)11(21-2)6-9(10)14(20)19-13;/h4,6-7H,1,5,8H2,2-3H3,(H2,16,17)(H,18,19,20);1H