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

Systemtic Name: 8-hexylsulfanyl-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-hexylsulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(hexylthio)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-hexylsulfanyl-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(hexylthio)-3-methyl-7-octyl-xanthine Formula: C20H34N4O2S MolecularWeight: 394.57456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H34N4O2S/c1-4-6-8-10-11-12-14-24-16-17(23(3)19(26)22-18(16)25)21-20(24)27-15-13-9-7-5-2/h4-15H2,1-3H3,(H,22,25,26)