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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1CCCC(N1C(=O)CSC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C17H25N5O3S/c1-10-7-6-8-11(2)22(10)12(23)9-26-16-18-14-13(19(16)3)15(24)21(5)17(25)20(14)4/h10-11H,6-9H2,1-5H3