1,3-dimethyl-7-[3-oxidanylidene-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-oxidanylidene-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-oxo-3-[4-(2-pyrazinyl)-1-piperazinyl]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-oxo-3-(4-pyrazin-2-ylpiperazin-1-yl)propyl]purine-2,6-dione Traditional Name: 7-[3-keto-3-(4-pyrazin-2-ylpiperazino)propyl]-1,3-dimethyl-xanthine Formula: C18H22N8O3 MolecularWeight: 398.41908

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC(=O)N3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C18H22N8O3/c1-22-16-15(17(28)23(2)18(22)29)26(12-21-16)6-3-14(27)25-9-7-24(8-10-25)13-11-19-4-5-20-13/h4-5,11-12H,3,6-10H2,1-2H3