1,3-dimethyl-7-[2-[4-(6-oxidanylidene-1H-pyridazin-3-yl)piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-(6-oxidanylidene-1H-pyridazin-3-yl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-3-yl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 7-[2-[4-(6-keto-1H-pyridazin-3-yl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C17H22N8O3 MolecularWeight: 386.40838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=NNC(=O)C=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=NNC(=O)C=C4

InChI

InChI=1S/C17H22N8O3/c1-21-15-14(16(27)22(2)17(21)28)25(11-18-15)10-7-23-5-8-24(9-6-23)12-3-4-13(26)20-19-12/h3-4,11H,5-10H2,1-2H3,(H,20,26)