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

Systemtic Name: 3-but-2-ynyl-5-[(4-phenylpyrimidin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-2-ynyl-5-[(4-phenylpyrimidin-2-yl)methyl]-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-2-ynyl-5-[(4-phenyl-2-pyrimidinyl)methyl]-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-2-ynyl-5-[(4-phenylpyrimidin-2-yl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-2-ynyl-5-[(4-phenylpyrimidin-2-yl)methyl]-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C24H24N8O MolecularWeight: 440.50036

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=CC(=N3)C4=CC=CC=C4)N=C1N5CCNCC5

Isomeric SMILES

CC#CCN1C2=C(C=NN(C2=O)CC3=NC=CC(=N3)C4=CC=CC=C4)N=C1N5CCNCC5

InChI

InChI=1S/C24H24N8O/c1-2-3-13-31-22-20(29-24(31)30-14-11-25-12-15-30)16-27-32(23(22)33)17-21-26-10-9-19(28-21)18-7-5-4-6-8-18/h4-10,16,25H,11-15,17H2,1H3