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

Systemtic Name: 3-but-1-ynyl-5-[(2-methoxypyridin-3-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-1-ynyl-5-[(2-methoxy-3-pyridyl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-1-ynyl-5-[(2-methoxy-3-pyridinyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-1-ynyl-5-[(2-methoxypyridin-3-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-1-ynyl-5-[(2-methoxy-3-pyridyl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CN1C2=C(C=NN(C2=O)CC3=C(N=CC=C3)OC)N=C1N4CCNCC4

Isomeric SMILES

CCC#CN1C2=C(C=NN(C2=O)CC3=C(N=CC=C3)OC)N=C1N4CCNCC4

InChI

InChI=1S/C20H23N7O2/c1-3-4-10-26-17-16(24-20(26)25-11-8-21-9-12-25)13-23-27(19(17)28)14-15-6-5-7-22-18(15)29-2/h5-7,13,21H,3,8-9,11-12,14H2,1-2H3