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

Systemtic Name: 2-[[(6,7-dimethylquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6,7-dimethylquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6,7-dimethyl-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6,7-dimethylquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6,7-dimethylquinazolin-4-yl)amino]methylene]malonic acid Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC=N2)NC=C(C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC=N2)NC=C(C(=O)O)C(=O)O)C

InChI

InChI=1S/C14H13N3O4/c1-7-3-9-11(4-8(7)2)16-6-17-12(9)15-5-10(13(18)19)14(20)21/h3-6H,1-2H3,(H,18,19)(H,20,21)(H,15,16,17)