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

Systemtic Name: 8-ethylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-(ethylthio)-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-(ethylthio)-7-hexyl-3-methyl-xanthine Formula: C14H22N4O2S MolecularWeight: 310.41508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H22N4O2S/c1-4-6-7-8-9-18-10-11(15-14(18)21-5-2)17(3)13(20)16-12(10)19/h4-9H2,1-3H3,(H,16,19,20)