6-bromanyl-3-(4-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: 6-bromanyl-3-(4-chlorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-3-(4-chlorophenyl)-4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-3-(4-chlorophenyl)-4-hydroxy-N-[3-(4-morpholin-4-iumyl)propyl]-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-3-(4-chlorophenyl)-4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(4-chlorophenyl)-4-hydroxy-2-keto-N-(3-morpholin-4-ium-4-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C22H25BrClN4O4+ MolecularWeight: 524.8153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H24BrClN4O4/c23-15-2-7-19-18(14-15)22(31,20(29)25-8-1-9-27-10-12-32-13-11-27)28(21(30)26-19)17-5-3-16(24)4-6-17/h2-7,14,31H,1,8-13H2,(H,25,29)(H,26,30)/p+1