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

Systemtic Name: 3-methyl-8-nonylsulfanyl-7-octyl-purine-2,6-dione Openeye Name: 3-methyl-8-nonylsulfanyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-8-(nonylthio)-7-octylpurine-2,6-dione IUPAC Name: 3-methyl-8-nonylsulfanyl-7-octylpurine-2,6-dione Traditional Name: 3-methyl-8-(nonylthio)-7-octyl-xanthine Formula: C23H40N4O2S MolecularWeight: 436.6543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(N1CCCCCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(N1CCCCCCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C23H40N4O2S/c1-4-6-8-10-12-14-16-18-30-23-24-20-19(21(28)25-22(29)26(20)3)27(23)17-15-13-11-9-7-5-2/h4-18H2,1-3H3,(H,25,28,29)