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

Systemtic Name: 2-[[6-bromanyl-3-(3,4-dimethylphenyl)-4-oxidanyl-2-oxidanylidene-1H-quinazolin-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazolin-4-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[6-bromo-3-(3,4-dimethylphenyl)-4-hydroxy-2-keto-1H-quinazoline-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C23H30BrN4O3+ MolecularWeight: 490.4133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN4O3/c1-5-27(6-2)12-11-25-21(29)23(31)19-14-17(24)8-10-20(19)26-22(30)28(23)18-9-7-15(3)16(4)13-18/h7-10,13-14,31H,5-6,11-12H2,1-4H3,(H,25,29)(H,26,30)/p+1