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

Systemtic Name: 3-[[6-bromanyl-3-(3,4-dimethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carbonyl]amino]propyl-dimethyl-ammonium Formula: C22H28BrN4O3+ MolecularWeight: 476.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+](C)C)O)C=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)NC3=C(C2(C(=O)NCCC[NH+](C)C)O)C=C(C=C3)Br)C

InChI

InChI=1S/C22H27BrN4O3/c1-14-6-8-17(12-15(14)2)27-21(29)25-19-9-7-16(23)13-18(19)22(27,30)20(28)24-10-5-11-26(3)4/h6-9,12-13,30H,5,10-11H2,1-4H3,(H,24,28)(H,25,29)/p+1