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

Systemtic Name: 7-ethyl-1,3-dimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-1,3-dimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[2-(1-piperidin-1-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 7-ethyl-1,3-dimethyl-8-(2-piperidin-1-ium-1-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-ethyl-1,3-dimethyl-8-(2-piperidin-1-ium-1-ylethylthio)xanthine Formula: C16H26N5O2S+ MolecularWeight: 352.47494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC[NH+]3CCCCC3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1SCC[NH+]3CCCCC3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H25N5O2S/c1-4-21-12-13(18(2)16(23)19(3)14(12)22)17-15(21)24-11-10-20-8-6-5-7-9-20/h4-11H2,1-3H3/p+1