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

Systemtic Name: 3-[[6-bromanyl-3-(3-methoxyphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[6-bromo-4-hydroxy-2-keto-3-(3-methoxyphenyl)-1H-quinazoline-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C21H26BrN4O4+ MolecularWeight: 478.35954

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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=CC(=CC=C3)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O4/c1-25(2)11-5-10-23-19(27)21(29)17-12-14(22)8-9-18(17)24-20(28)26(21)15-6-4-7-16(13-15)30-3/h4,6-9,12-13,29H,5,10-11H2,1-3H3,(H,23,27)(H,24,28)/p+1