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

Systemtic Name: 1,3,7-trimethyl-8-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[2-oxo-2-(1-piperidinyl)ethyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-oxo-2-piperidin-1-ylethyl)sulfanylpurine-2,6-dione Traditional Name: 8-[(2-keto-2-piperidino-ethyl)thio]-1,3,7-trimethyl-xanthine Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC(=O)N3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H21N5O3S/c1-17-11-12(18(2)15(23)19(3)13(11)22)16-14(17)24-9-10(21)20-7-5-4-6-8-20/h4-9H2,1-3H3