2-[[(6-azanylquinazolin-4-yl)amino]methylidene]propanedioic acid

Systemtic Name: 2-[[(6-azanylquinazolin-4-yl)amino]methylidene]propanedioic acid Openeye Name: 2-[[(6-aminoquinazolin-4-yl)amino]methylene]propanedioic acid CAS Name: 2-[[(6-amino-4-quinazolinyl)amino]methylidene]propanedioic acid IUPAC Name: 2-[[(6-aminoquinazolin-4-yl)amino]methylidene]propanedioic acid Traditional Name: 2-[[(6-aminoquinazolin-4-yl)amino]methylene]malonic acid Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)C(=NC=N2)NC=C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)C(=NC=N2)NC=C(C(=O)O)C(=O)O

InChI

InChI=1S/C12H10N4O4/c13-6-1-2-9-7(3-6)10(16-5-15-9)14-4-8(11(17)18)12(19)20/h1-5H,13H2,(H,17,18)(H,19,20)(H,14,15,16)