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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)NC2=CC3C(=NC(=NC3=O)N)C=C2

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O)NC2=CC3C(=NC(=NC3=O)N)C=C2

InChI

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