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

Systemtic Name: 3-but-1-ynyl-2-piperazin-1-yl-5-(pyridin-4-ylmethyl)imidazo[4,5-d]pyridazin-4-one Openeye Name: 3-but-1-ynyl-2-piperazin-1-yl-5-(4-pyridylmethyl)imidazo[4,5-d]pyridazin-4-one CAS Name: 3-but-1-ynyl-2-(1-piperazinyl)-5-(pyridin-4-ylmethyl)-4-imidazo[4,5-d]pyridazinone IUPAC Name: 3-but-1-ynyl-2-piperazin-1-yl-5-(pyridin-4-ylmethyl)imidazo[4,5-d]pyridazin-4-one Traditional Name: 3-but-1-ynyl-2-piperazino-5-(4-pyridylmethyl)imidazo[4,5-d]pyridazin-4-one Formula: C19H21N7O MolecularWeight: 363.41634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N7O/c1-2-3-10-25-17-16(23-19(25)24-11-8-21-9-12-24)13-22-26(18(17)27)14-15-4-6-20-7-5-15/h4-7,13,21H,2,8-9,11-12,14H2,1H3