2-[[(6,7-dimethoxyquinazolin-4-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(6,7-dimethoxyquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6,7-dimethoxyquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6,7-dimethoxy-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6,7-dimethoxyquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6,7-dimethoxyquinazolin-4-yl)amino]methylene]malonic acid Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6/c1-22-10-3-7-9(4-11(10)23-2)16-6-17-12(7)15-5-8(13(18)19)14(20)21/h3-6H,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)