7-hexadecyl-3-methyl-8-octylsulfanyl-purine-2,6-dione

Systemtic Name: 7-hexadecyl-3-methyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 7-hexadecyl-3-methyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 7-hexadecyl-3-methyl-8-(octylthio)purine-2,6-dione IUPAC Name: 7-hexadecyl-3-methyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 7-cetyl-3-methyl-8-(octylthio)xanthine Formula: C30H54N4O2S MolecularWeight: 534.84036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C30H54N4O2S/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-24-34-26-27(33(3)29(36)32-28(26)35)31-30(34)37-25-23-21-11-9-7-5-2/h4-25H2,1-3H3,(H,32,35,36)