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

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

Systemtic Name:8-dodecylsulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione
Openeye Name:8-dodecylsulfanyl-7-hexadecyl-3-methyl-purine-2,6-dione
CAS Name:8-(dodecylthio)-7-hexadecyl-3-methylpurine-2,6-dione
IUPAC Name:8-dodecylsulfanyl-7-hexadecyl-3-methylpurine-2,6-dione
Traditional Name:7-cetyl-8-(laurylthio)-3-methyl-xanthine
Formula: C34H62N4O2S
MolecularWeight: 590.94668
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCCCCCC)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCCCCCC)N(C(=O)NC2=O)C


InChI

InChI=1S/C34H62N4O2S/c1-4-6-8-10-12-14-16-17-18-19-20-22-24-26-28-38-30-31(37(3)33(40)36-32(30)39)35-34(38)41-29-27-25-23-21-15-13-11-9-7-5-2/h4-29H2,1-3H3,(H,36,39,40)


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