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

Systemtic Name: 3-but-2-ynyl-5-[(4-methylpyridin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(4-methyl-2-pyridyl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(4-methyl-2-pyridinyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(4-methylpyridin-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(4-methyl-2-pyridyl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C20H23N7O MolecularWeight: 377.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=CC(=C3)C)N=C1N4CCNCC4

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=CC(=C3)C)N=C1N4CCNCC4

InChI

InChI=1S/C20H23N7O/c1-3-4-9-26-18-17(24-20(26)25-10-7-21-8-11-25)13-23-27(19(18)28)14-16-12-15(2)5-6-22-16/h5-6,12-13,21H,7-11,14H2,1-2H3