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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate Openeye Name: 3-allyl-2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: N'-prop-2-enylcarbamimidothioic acid (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl N'-prop-2-enylcarbamimidothioate Traditional Name: 3-allyl-2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]isothiourea Formula: C15H18N4O3S MolecularWeight: 334.39342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/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)