2-[[6-bromanyl-3-(3-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[6-bromanyl-3-(3-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[6-bromo-4-hydroxy-2-keto-3-(3-methoxyphenyl)-1H-quinazoline-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C22H28BrN4O4+ MolecularWeight: 492.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1(C2=C(C=CC(=C2)Br)NC(=O)N1C3=CC(=CC=C3)OC)O

InChI

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