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

Systemtic Name: 2-[[4-[[(4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-[[(4-oxo-1H-quinazolin-6-yl)amino]methyl]phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(4-keto-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC3=C(C=C2)NC=NC3=O)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC3=C(C=C2)NC=NC3=O)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H20N4O6/c26-18(27)8-7-17(21(30)31)25-19(28)13-3-1-12(2-4-13)10-22-14-5-6-16-15(9-14)20(29)24-11-23-16/h1-6,9,11,17,22H,7-8,10H2,(H,25,28)(H,26,27)(H,30,31)(H,23,24,29)