7-hexyl-3-methyl-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 7-hexyl-3-methyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-(methylthio)xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H20N4O2S/c1-4-5-6-7-8-17-9-10(14-13(17)20-3)16(2)12(19)15-11(9)18/h4-8H2,1-3H3,(H,15,18,19)