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

Systemtic Name: 8-decylsulfanyl-3-methyl-7-octyl-purine-2,6-dione Openeye Name: 8-decylsulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 8-(decylthio)-3-methyl-7-octylpurine-2,6-dione IUPAC Name: 8-decylsulfanyl-3-methyl-7-octylpurine-2,6-dione Traditional Name: 8-(decylthio)-3-methyl-7-octyl-xanthine Formula: C24H42N4O2S MolecularWeight: 450.68088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1CCCCCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1CCCCCCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C24H42N4O2S/c1-4-6-8-10-12-13-15-17-19-31-24-25-21-20(22(29)26-23(30)27(21)3)28(24)18-16-14-11-9-7-5-2/h4-19H2,1-3H3,(H,26,29,30)