3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one Openeye Name: 3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one CAS Name: 3-[4-(7H-purin-6-yl)-1-piperazinyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(7H-purin-6-yl)piperazin-1-yl]-1H-pyridazin-6-one Traditional Name: 3-[4-(7H-purin-6-yl)piperazino]-1H-pyridazin-6-one Formula: C13H14N8O MolecularWeight: 298.30326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NNC(=O)C=C2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CCN1C2=NNC(=O)C=C2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C13H14N8O/c22-10-2-1-9(18-19-10)20-3-5-21(6-4-20)13-11-12(15-7-14-11)16-8-17-13/h1-2,7-8H,3-6H2,(H,19,22)(H,14,15,16,17)