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

Systemtic Name: 7-dodecyl-3-methyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 7-dodecyl-3-methyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 7-dodecyl-3-methyl-8-(octylthio)purine-2,6-dione IUPAC Name: 7-dodecyl-3-methyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 7-lauryl-3-methyl-8-(octylthio)xanthine Formula: C26H46N4O2S MolecularWeight: 478.73404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C2=C(N=C1SCCCCCCCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C26H46N4O2S/c1-4-6-8-10-12-13-14-15-16-18-20-30-22-23(29(3)25(32)28-24(22)31)27-26(30)33-21-19-17-11-9-7-5-2/h4-21H2,1-3H3,(H,28,31,32)