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

Systemtic Name: 3,7-dimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione CAS Name: 3,7-dimethyl-8-[2-(1-piperidin-1-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-8-(2-piperidin-1-ium-1-ylethylthio)xanthine Formula: C14H22N5O2S+ MolecularWeight: 324.42178

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC[NH+]3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SCC[NH+]3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O2S/c1-17-10-11(18(2)13(21)16-12(10)20)15-14(17)22-9-8-19-6-4-3-5-7-19/h3-9H2,1-2H3,(H,16,20,21)/p+1