1,3,7-trimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[2-(1-piperidin-1-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(2-piperidin-1-ium-1-ylethylthio)xanthine Formula: C15H24N5O2S+ MolecularWeight: 338.44836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC[NH+]3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC[NH+]3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H23N5O2S/c1-17-11-12(18(2)15(22)19(3)13(11)21)16-14(17)23-10-9-20-7-5-4-6-8-20/h4-10H2,1-3H3/p+1