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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate hydrochloride Openeye Name: 3-allyl-2-[(4-oxo-1H-quinazolin-2-yl)methyl]isothiourea hydrochloride CAS Name: N'-prop-2-enylcarbamimidothioic acid (4-oxo-1H-quinazolin-2-yl)methyl ester hydrochloride IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate hydrochloride Traditional Name: 3-allyl-2-[(4-keto-1H-quinazolin-2-yl)methyl]isothiourea hydrochloride Formula: C13H15ClN4OS MolecularWeight: 310.8024

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N)SCC1=NC(=O)C2=CC=CC=C2N1.Cl

Isomeric SMILES

C=CCN=C(N)SCC1=NC(=O)C2=CC=CC=C2N1.Cl

InChI

InChI=1S/C13H14N4OS.ClH/c1-2-7-15-13(14)19-8-11-16-10-6-4-3-5-9(10)12(18)17-11;/h2-6H,1,7-8H2,(H2,14,15)(H,16,17,18);1H