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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC[NH+]3CCCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCC[NH+]3CCCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C15H23N5O2S/c1-3-20-11-12(18(2)14(22)17-13(11)21)16-15(20)23-10-9-19-7-5-4-6-8-19/h3-10H2,1-2H3,(H,17,21,22)/p+1