3-but-2-ynyl-5-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one

Systemtic Name: 3-but-2-ynyl-5-[(4-methyl-3-oxidanidyl-quinazolin-3-ium-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(4-methyl-3-oxido-2-quinazolin-3-iumyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(4-methyl-3-oxidoquinazolin-3-ium-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(4-methyl-3-oxido-quinazolin-3-ium-2-yl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C23H24N8O2 MolecularWeight: 444.48906

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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=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC4=CC=CC=C4C(=[N+]3[O-])C)N=C1N5CCNCC5

InChI

InChI=1S/C23H24N8O2/c1-3-4-11-29-21-19(27-23(29)28-12-9-24-10-13-28)14-25-30(22(21)32)15-20-26-18-8-6-5-7-17(18)16(2)31(20)33/h5-8,14,24H,9-13,15H2,1-2H3