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

Systemtic Name: 2-[[6-bromanyl-3-(3-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-bromo-4-hydroxy-2-keto-3-(3-methoxyphenyl)-1H-quinazoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H24BrN4O4+ MolecularWeight: 464.33296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O4/c1-24(2)10-9-22-18(26)20(28)16-11-13(21)7-8-17(16)23-19(27)25(20)14-5-4-6-15(12-14)29-3/h4-8,11-12,28H,9-10H2,1-3H3,(H,22,26)(H,23,27)/p+1