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

Systemtic Name: 4-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butanoic acid CAS Name: 4-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butanoic acid Traditional Name: 4-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butyric acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCCC(=O)O)NCC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCCC(=O)O)NCC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C20H21N5O4/c21-20-24-16-8-3-12(10-15(16)19(29)25-20)11-23-14-6-4-13(5-7-14)18(28)22-9-1-2-17(26)27/h3-8,10,23H,1-2,9,11H2,(H,22,28)(H,26,27)(H3,21,24,25,29)