3-[[3-[2,6-bis(fluoranyl)phenyl]-6-bromanyl-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-[2,6-bis(fluoranyl)phenyl]-6-bromanyl-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C20H22BrF2N4O3+ MolecularWeight: 484.314486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=C(C=CC=C3F)F)O

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=C(C=CC=C3F)F)O

InChI

InChI=1S/C20H21BrF2N4O3/c1-26(2)10-4-9-24-18(28)20(30)13-11-12(21)7-8-16(13)25-19(29)27(20)17-14(22)5-3-6-15(17)23/h3,5-8,11,30H,4,9-10H2,1-2H3,(H,24,28)(H,25,29)/p+1