2-(6,7-dimethoxyquinazolin-4-yl)sulfanylethanoate

Systemtic Name: 2-(6,7-dimethoxyquinazolin-4-yl)sulfanylethanoate Openeye Name: 2-(6,7-dimethoxyquinazolin-4-yl)sulfanylacetate CAS Name: 2-[(6,7-dimethoxy-4-quinazolinyl)thio]acetate IUPAC Name: 2-(6,7-dimethoxyquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(6,7-dimethoxyquinazolin-4-yl)thio]acetate Formula: C12H11N2O4S- MolecularWeight: 279.29174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)SCC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)SCC(=O)[O-])OC

InChI

InChI=1S/C12H12N2O4S/c1-17-9-3-7-8(4-10(9)18-2)13-6-14-12(7)19-5-11(15)16/h3-4,6H,5H2,1-2H3,(H,15,16)/p-1