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

Systemtic Name: 7-butyl-8-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-butyl-8-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-butyl-8-[[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-butyl-8-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-butyl-8-[[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]-1,3-dimethyl-xanthine Formula: C20H31N5O3S MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1SCC(=O)N3C(CCCC3C)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCN1C2=C(N=C1SCC(=O)N3[C@H](CCC[C@@H]3C)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H31N5O3S/c1-6-7-11-24-16-17(22(4)20(28)23(5)18(16)27)21-19(24)29-12-15(26)25-13(2)9-8-10-14(25)3/h13-14H,6-12H2,1-5H3/t13-,14-/m0/s1