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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)N3C(CCCC3C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)N3[C@H](CCC[C@@H]3C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H27N5O3S/c1-6-22-14-15(20(4)18(26)21(5)16(14)25)19-17(22)27-10-13(24)23-11(2)8-7-9-12(23)3/h11-12H,6-10H2,1-5H3/t11-,12-/m0/s1