4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-hydroxy-benzoic acid CAS Name: 4-[(6,7-dimethoxy-4-quinazolinyl)amino]-2-hydroxybenzoic acid IUPAC Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-hydroxybenzoic acid Traditional Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-hydroxy-benzoic acid Formula: C17H15N3O5 MolecularWeight: 341.3181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)C(=O)O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)C(=O)O)O)OC

InChI

InChI=1S/C17H15N3O5/c1-24-14-6-11-12(7-15(14)25-2)18-8-19-16(11)20-9-3-4-10(17(22)23)13(21)5-9/h3-8,21H,1-2H3,(H,22,23)(H,18,19,20)