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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl

InChI

InChI=1S/C21H20ClN5O6/c22-17-11(3-6-13-16(17)19(31)27-21(23)26-13)9-24-12-4-1-10(2-5-12)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)