7-decyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione

Systemtic Name: 7-decyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Openeye Name: 7-decyl-8-isobutylsulfanyl-3-methyl-purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-(2-methylpropylthio)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-(2-methylpropylsulfanyl)purine-2,6-dione Traditional Name: 7-decyl-8-(isobutylthio)-3-methyl-xanthine Formula: C20H34N4O2S MolecularWeight: 394.57456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H34N4O2S/c1-5-6-7-8-9-10-11-12-13-24-16-17(21-20(24)27-14-15(2)3)23(4)19(26)22-18(16)25/h15H,5-14H2,1-4H3,(H,22,25,26)