2-bromanyl-3-but-2-ynyl-5-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 2-bromanyl-3-but-2-ynyl-5-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Openeye Name: 2-bromo-3-but-2-ynyl-5-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one CAS Name: 2-bromo-3-but-2-ynyl-5-[(4-methyl-3-oxido-2-quinazolin-3-iumyl)methyl]-4-imidazo[4,5-d]pyridazinone IUPAC Name: 2-bromo-3-but-2-ynyl-5-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Traditional Name: 2-bromo-3-but-2-ynyl-5-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl]imidazo[4,5-d]pyridazin-4-one Formula: C19H15BrN6O2 MolecularWeight: 439.2654

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=[N+]3[O-])C)N=C1Br

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=[N+]3[O-])C)N=C1Br

InChI

InChI=1S/C19H15BrN6O2/c1-3-4-9-24-17-15(23-19(24)20)10-21-25(18(17)27)11-16-22-14-8-6-5-7-13(14)12(2)26(16)28/h5-8,10H,9,11H2,1-2H3