5-[(6,7-dimethoxyquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(6,7-dimethoxyquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6,7-dimethoxyquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(6,7-dimethoxy-4-quinazolinyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6,7-dimethoxyquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6,7-dimethoxyquinazolin-4-yl)amino]isophthalic acid Formula: C18H15N3O6 MolecularWeight: 369.3282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c1-26-14-6-12-13(7-15(14)27-2)19-8-20-16(12)21-11-4-9(17(22)23)3-10(5-11)18(24)25/h3-8H,1-2H3,(H,22,23)(H,24,25)(H,19,20,21)