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

Systemtic Name: 2-[[4-[[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(4-keto-2-methyl-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H22N4O6/c1-12-24-17-7-6-15(10-16(17)21(30)25-12)23-11-13-2-4-14(5-3-13)20(29)26-18(22(31)32)8-9-19(27)28/h2-7,10,18,23H,8-9,11H2,1H3,(H,26,29)(H,27,28)(H,31,32)(H,24,25,30)