1,3-dimethyl-7-[2-[5-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[5-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[5-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[5-[2-(1-methyl-1-piperazin-1-iumyl)ethyl]-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[5-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[5-[2-(1-methylpiperazin-1-ium-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]ethyl]xanthine Formula: C18H27N8O3+ MolecularWeight: 403.45878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=NOC(=N3)CC[N+]4(CCNCC4)C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=NOC(=N3)CC[N+]4(CCNCC4)C

InChI

InChI=1S/C18H27N8O3/c1-23-16-15(17(27)24(2)18(23)28)25(12-20-16)8-4-13-21-14(29-22-13)5-9-26(3)10-6-19-7-11-26/h12,19H,4-11H2,1-3H3/q+1