6-bromanyl-3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide

Systemtic Name: 6-bromanyl-3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-2-oxidanylidene-1H-quinazoline-4-carboxamide Openeye Name: 6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide CAS Name: 6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-N-[3-(4-morpholin-4-iumyl)propyl]-2-oxo-1H-quinazoline-4-carboxamide IUPAC Name: 6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-N-(3-morpholin-4-ium-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide Traditional Name: 6-bromo-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-keto-N-(3-morpholin-4-ium-4-ylpropyl)-1H-quinazoline-4-carboxamide Formula: C24H30BrN4O6+ MolecularWeight: 550.4222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+]4CCOCC4)O)C=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+]4CCOCC4)O)C=C(C=C3)Br)OC

InChI

InChI=1S/C24H29BrN4O6/c1-33-17-5-7-20(21(15-17)34-2)29-23(31)27-19-6-4-16(25)14-18(19)24(29,32)22(30)26-8-3-9-28-10-12-35-13-11-28/h4-7,14-15,32H,3,8-13H2,1-2H3,(H,26,30)(H,27,31)/p+1