(2R)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid

Systemtic Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid Openeye Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid CAS Name: (2R)-2-[(6,7-dimethoxy-4-quinazolinyl)amino]butanedioic acid IUPAC Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]butanedioic acid Traditional Name: (2R)-2-[(6,7-dimethoxyquinazolin-4-yl)amino]succinic acid Formula: C14H15N3O6 MolecularWeight: 321.2854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N[C@H](CC(=O)O)C(=O)O)OC

InChI

InChI=1S/C14H15N3O6/c1-22-10-3-7-8(4-11(10)23-2)15-6-16-13(7)17-9(14(20)21)5-12(18)19/h3-4,6,9H,5H2,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)/t9-/m1/s1