7-ethyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-[2-(4-morpholin-4-iumyl)ethylthio]purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylsulfanyl)purine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(2-morpholin-4-ium-4-ylethylthio)xanthine Formula: C14H22N5O3S+ MolecularWeight: 340.42118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCC[NH+]3CCOCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O3S/c1-3-19-10-11(17(2)13(21)16-12(10)20)15-14(19)23-9-6-18-4-7-22-8-5-18/h3-9H2,1-2H3,(H,16,20,21)/p+1