7-decyl-8-hexylsulfanyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-decyl-8-hexylsulfanyl-3-methyl-purine-2,6-dione Openeye Name: 7-decyl-8-hexylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-decyl-8-(hexylthio)-3-methylpurine-2,6-dione IUPAC Name: 7-decyl-8-hexylsulfanyl-3-methylpurine-2,6-dione Traditional Name: 7-decyl-8-(hexylthio)-3-methyl-xanthine Formula: C22H38N4O2S MolecularWeight: 422.62772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C22H38N4O2S/c1-4-6-8-10-11-12-13-14-16-26-18-19(25(3)21(28)24-20(18)27)23-22(26)29-17-15-9-7-5-2/h4-17H2,1-3H3,(H,24,27,28)