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

Systemtic Name: 5-[(5-azanylpyridin-2-yl)methyl]-3-but-1-ynyl-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one Openeye Name: 5-[(5-amino-2-pyridyl)methyl]-3-but-1-ynyl-2-piperazin-1-yl-imidazo[4,5-d]pyridazin-4-one CAS Name: 5-[(5-amino-2-pyridinyl)methyl]-3-but-1-ynyl-2-(1-piperazinyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 5-[(5-aminopyridin-2-yl)methyl]-3-but-1-ynyl-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one Traditional Name: 5-[(5-amino-2-pyridyl)methyl]-3-but-1-ynyl-2-piperazino-imidazo[4,5-d]pyridazin-4-one Formula: C19H22N8O MolecularWeight: 378.43098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N8O/c1-2-3-8-26-17-16(24-19(26)25-9-6-21-7-10-25)12-23-27(18(17)28)13-15-5-4-14(20)11-22-15/h4-5,11-12,21H,2,6-7,9-10,13,20H2,1H3