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

Systemtic Name: 3-methyl-8-methylsulfanyl-7-nonyl-purine-2,6-dione Openeye Name: 3-methyl-8-methylsulfanyl-7-nonyl-purine-2,6-dione CAS Name: 3-methyl-8-(methylthio)-7-nonylpurine-2,6-dione IUPAC Name: 3-methyl-8-methylsulfanyl-7-nonylpurine-2,6-dione Traditional Name: 3-methyl-8-(methylthio)-7-nonyl-xanthine Formula: C16H26N4O2S MolecularWeight: 338.46824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

InChI=1S/C16H26N4O2S/c1-4-5-6-7-8-9-10-11-20-12-13(17-16(20)23-3)19(2)15(22)18-14(12)21/h4-11H2,1-3H3,(H,18,21,22)