(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl N'-(3-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)isothiourea CAS Name: N'-(3-methoxyphenyl)carbamimidothioic 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'-(3-methoxyphenyl)carbamimidothioate Traditional Name: 2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-3-(3-methoxyphenyl)isothiourea Formula: C19H20N4O4S MolecularWeight: 400.4515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N=C(N)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

COC1=CC=CC(=C1)N=C(N)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

InChI=1S/C19H20N4O4S/c1-25-12-6-4-5-11(7-12)21-19(20)28-10-17-22-14-9-16(27-3)15(26-2)8-13(14)18(24)23-17/h4-9H,10H2,1-3H3,(H2,20,21)(H,22,23,24)