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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)C2=CC3=C(C=C2)NC(=NC3=O)N

InChI

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