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

Systemtic Name: 3-but-1-ynyl-5-[(2-fluoranylpyridin-4-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-1-ynyl-5-[(2-fluoro-4-pyridyl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-1-ynyl-5-[(2-fluoro-4-pyridinyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-1-ynyl-5-[(2-fluoropyridin-4-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-1-ynyl-5-[(2-fluoro-4-pyridyl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C19H20FN7O MolecularWeight: 381.406803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN7O/c1-2-3-8-26-17-15(24-19(26)25-9-6-21-7-10-25)12-23-27(18(17)28)13-14-4-5-22-16(20)11-14/h4-5,11-12,21H,2,6-7,9-10,13H2,1H3