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

Systemtic Name: (6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl carbamimidothioate Openeye Name: 2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]isothiourea CAS Name: 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 carbamimidothioate Traditional Name: 2-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]isothiourea Formula: C12H14N4O3S MolecularWeight: 294.32956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O3S/c1-18-8-3-6-7(4-9(8)19-2)15-10(16-11(6)17)5-20-12(13)14/h3-4H,5H2,1-2H3,(H3,13,14)(H,15,16,17)