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

Systemtic Name: 2-[[4-[[(2-azanyl-5-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[(2-amino-5-chloro-4-keto-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]glutaric acid Formula: C21H20ClN5O6 MolecularWeight: 473.8664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H20ClN5O6/c22-17-13(6-5-12-16(17)19(31)27-21(23)26-12)24-9-10-1-3-11(4-2-10)18(30)25-14(20(32)33)7-8-15(28)29/h1-6,14,24H,7-9H2,(H,25,30)(H,28,29)(H,32,33)(H3,23,26,27,31)