8-decylsulfanyl-7-dodecyl-3-methyl-purine-2,6-dione

Systemtic Name: 8-decylsulfanyl-7-dodecyl-3-methyl-purine-2,6-dione Openeye Name: 8-decylsulfanyl-7-dodecyl-3-methyl-purine-2,6-dione CAS Name: 8-(decylthio)-7-dodecyl-3-methylpurine-2,6-dione IUPAC Name: 8-decylsulfanyl-7-dodecyl-3-methylpurine-2,6-dione Traditional Name: 8-(decylthio)-7-lauryl-3-methyl-xanthine Formula: C28H50N4O2S MolecularWeight: 506.7872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C28H50N4O2S/c1-4-6-8-10-12-14-15-16-18-20-22-32-24-25(31(3)27(34)30-26(24)33)29-28(32)35-23-21-19-17-13-11-9-7-5-2/h4-23H2,1-3H3,(H,30,33,34)