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

Systemtic Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid hydrochloride CAS Name: 4-[(6,7-dimethoxy-4-quinazolinyl)amino]benzoic acid hydrochloride IUPAC Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 4-[(6,7-dimethoxyquinazolin-4-yl)amino]benzoic acid hydrochloride Formula: C17H16ClN3O4 MolecularWeight: 361.77964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4.ClH/c1-23-14-7-12-13(8-15(14)24-2)18-9-19-16(12)20-11-5-3-10(4-6-11)17(21)22;/h3-9H,1-2H3,(H,21,22)(H,18,19,20);1H