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

Systemtic Name: 5-[(6-methylquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(6-methylquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(6-methyl-4-quinazolinyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(6-methylquinazolin-4-yl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(6-methylquinazolin-4-yl)amino]isophthalic acid Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C17H13N3O4/c1-9-2-3-14-13(4-9)15(19-8-18-14)20-12-6-10(16(21)22)5-11(7-12)17(23)24/h2-8H,1H3,(H,21,22)(H,23,24)(H,18,19,20)