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

Systemtic Name: 8-dodecylsulfanyl-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-dodecylsulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(laurylthio)-3-methyl-7-octyl-xanthine Formula: C26H46N4O2S MolecularWeight: 478.73404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CCCCCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CCCCCCCC)C(=O)NC(=O)N2C

InChI

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