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

Systemtic Name: 2-[[6-bromanyl-3-(3,4-dimethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C21H26BrN4O3+ MolecularWeight: 462.36014

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H25BrN4O3/c1-13-5-7-16(11-14(13)2)26-20(28)24-18-8-6-15(22)12-17(18)21(26,29)19(27)23-9-10-25(3)4/h5-8,11-12,29H,9-10H2,1-4H3,(H,23,27)(H,24,28)/p+1