2-[[4-[[(2-azanyl-5-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[(2-azanyl-5-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(2-amino-4-keto-5-methyl-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C22H23N5O6 MolecularWeight: 453.44792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)N=C(N2)N)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)N=C(N2)N)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C22H23N5O6/c1-11-14(6-7-15-18(11)20(31)27-22(23)26-15)24-10-12-2-4-13(5-3-12)19(30)25-16(21(32)33)8-9-17(28)29/h2-7,16,24H,8-10H2,1H3,(H,25,30)(H,28,29)(H,32,33)(H3,23,26,27,31)