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

Systemtic Name: 2-[[4-[[(2-azanyl-4-oxidanylidene-4aH-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2-amino-4-oxo-4aH-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-amino-4-oxo-4aH-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-amino-4-oxo-4aH-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(2-amino-4-keto-4aH-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC3C(=NC(=NC3=O)N)C=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC3C(=NC(=NC3=O)N)C=C2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H21N5O6/c22-21-25-15-6-5-13(9-14(15)19(30)26-21)23-10-11-1-3-12(4-2-11)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,14,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H2,22,26,30)