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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylpurine-2,6-dione Traditional Name: 7-ethyl-8-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]-1,3-dimethyl-xanthine Formula: C17H25N5O3S MolecularWeight: 379.4771

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC(=O)N3CCCC(C3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC(=O)N3CCC[C@H](C3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H25N5O3S/c1-5-22-13-14(19(3)17(25)20(4)15(13)24)18-16(22)26-10-12(23)21-8-6-7-11(2)9-21/h11H,5-10H2,1-4H3/t11-/m1/s1