8-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(2,6-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[2-(2,6-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-1-ethyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-1-ethyl-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1-ethyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[[2-(2,6-dimethylpiperidino)-2-keto-ethyl]thio]-1-ethyl-3,7-dimethyl-xanthine Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)N3C(CCCC3C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2C)SCC(=O)N3C(CCCC3C)C)N(C1=O)C

InChI

InChI=1S/C18H27N5O3S/c1-6-22-16(25)14-15(21(5)18(22)26)19-17(20(14)4)27-10-13(24)23-11(2)8-7-9-12(23)3/h11-12H,6-10H2,1-5H3