2-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)carbonylamino]pentanedioic acid

Systemtic Name: 2-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)carbonylamino]pentanedioic acid Openeye Name: 2-[(2-amino-4-oxo-1H-quinazoline-6-carbonyl)amino]pentanedioic acid CAS Name: 2-[[(2-amino-4-oxo-1H-quinazolin-6-yl)-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[(2-amino-4-oxo-1H-quinazoline-6-carbonyl)amino]pentanedioic acid Traditional Name: 2-[(2-amino-4-keto-1H-quinazoline-6-carbonyl)amino]glutaric acid Formula: C14H14N4O6 MolecularWeight: 334.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N=C(N2)N

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N=C(N2)N

InChI

InChI=1S/C14H14N4O6/c15-14-17-8-2-1-6(5-7(8)12(22)18-14)11(21)16-9(13(23)24)3-4-10(19)20/h1-2,5,9H,3-4H2,(H,16,21)(H,19,20)(H,23,24)(H3,15,17,18,22)