2-[(7-carboxyquinazolin-4-yl)amino]butanedioic acid hydrochloride

Systemtic Name: 2-[(7-carboxyquinazolin-4-yl)amino]butanedioic acid hydrochloride Openeye Name: 2-[(7-carboxyquinazolin-4-yl)amino]butanedioic acid hydrochloride CAS Name: 2-[(7-carboxy-4-quinazolinyl)amino]butanedioic acid hydrochloride IUPAC Name: 2-[(7-carboxyquinazolin-4-yl)amino]butanedioic acid hydrochloride Traditional Name: 2-[(7-carboxyquinazolin-4-yl)amino]succinic acid hydrochloride Formula: C13H12ClN3O6 MolecularWeight: 341.70388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)N=CN=C2NC(CC(=O)O)C(=O)O.Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)N=CN=C2NC(CC(=O)O)C(=O)O.Cl

InChI

InChI=1S/C13H11N3O6.ClH/c17-10(18)4-9(13(21)22)16-11-7-2-1-6(12(19)20)3-8(7)14-5-15-11;/h1-3,5,9H,4H2,(H,17,18)(H,19,20)(H,21,22)(H,14,15,16);1H