3-(6,7-dimethoxyquinazolin-4-yl)sulfanylpropanoate

Systemtic Name: 3-(6,7-dimethoxyquinazolin-4-yl)sulfanylpropanoate Openeye Name: 3-(6,7-dimethoxyquinazolin-4-yl)sulfanylpropanoate CAS Name: 3-[(6,7-dimethoxy-4-quinazolinyl)thio]propanoate IUPAC Name: 3-(6,7-dimethoxyquinazolin-4-yl)sulfanylpropanoate Traditional Name: 3-[(6,7-dimethoxyquinazolin-4-yl)thio]propionate Formula: C13H13N2O4S- MolecularWeight: 293.31832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-18-10-5-8-9(6-11(10)19-2)14-7-15-13(8)20-4-3-12(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)/p-1