3-[2,6-bis(fluoranyl)phenyl]-6-bromanyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: 3-[2,6-bis(fluoranyl)phenyl]-6-bromanyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-N-[3-(4-morpholin-4-iumyl)propyl]-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-keto-N-(3-morpholin-4-ium-4-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C22H24BrF2N4O4+ MolecularWeight: 526.351166

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=C(C=CC=C4F)F)O

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2(C3=C(C=CC(=C3)Br)NC(=O)N2C4=C(C=CC=C4F)F)O

InChI

InChI=1S/C22H23BrF2N4O4/c23-14-5-6-18-15(13-14)22(32,20(30)26-7-2-8-28-9-11-33-12-10-28)29(21(31)27-18)19-16(24)3-1-4-17(19)25/h1,3-6,13,32H,2,7-12H2,(H,26,30)(H,27,31)/p+1