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

Systemtic Name: 1,3-dimethyl-7-[2-[4-(1-methyl-6-oxidanylidene-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-(1-methyl-6-oxo-pyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-(1-methyl-6-oxo-4-pyridazinyl)-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 7-[2-[4-(6-keto-1-methyl-pyridazin-4-yl)piperazino]ethyl]-1,3-dimethyl-xanthine Formula: C18H24N8O3 MolecularWeight: 400.43496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(C=N1)N2CCN(CC2)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CN1C(=O)C=C(C=N1)N2CCN(CC2)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H24N8O3/c1-21-16-15(17(28)22(2)18(21)29)26(12-19-16)9-6-24-4-7-25(8-5-24)13-10-14(27)23(3)20-11-13/h10-12H,4-9H2,1-3H3