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

Systemtic Name: 3-[[6-bromanyl-3-(4-ethoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[6-bromo-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[6-bromo-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-bromo-3-(4-ethoxyphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-bromo-4-hydroxy-2-keto-3-p-phenetyl-1H-quinazoline-4-carbonyl)amino]propyl-dimethyl-ammonium Formula: C22H28BrN4O4+ MolecularWeight: 492.38612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+](C)C)O)C=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+](C)C)O)C=C(C=C3)Br

InChI

InChI=1S/C22H27BrN4O4/c1-4-31-17-9-7-16(8-10-17)27-21(29)25-19-11-6-15(23)14-18(19)22(27,30)20(28)24-12-5-13-26(2)3/h6-11,14,30H,4-5,12-13H2,1-3H3,(H,24,28)(H,25,29)/p+1