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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N=C(N)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

Isomeric SMILES

COC1=CC=CC=C1N=C(N)SCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

InChI

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