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

Systemtic Name: 8-dodecylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione Openeye Name: 8-dodecylsulfanyl-3-methyl-7-nonyl-purine-2,6-dione CAS Name: 8-(dodecylthio)-3-methyl-7-nonylpurine-2,6-dione IUPAC Name: 8-dodecylsulfanyl-3-methyl-7-nonylpurine-2,6-dione Traditional Name: 8-(laurylthio)-3-methyl-7-nonyl-xanthine Formula: C27H48N4O2S MolecularWeight: 492.76062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NC2=C(N1CCCCCCCCC)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCCCCCSC1=NC2=C(N1CCCCCCCCC)C(=O)NC(=O)N2C

InChI

InChI=1S/C27H48N4O2S/c1-4-6-8-10-12-13-14-16-18-20-22-34-27-28-24-23(25(32)29-26(33)30(24)3)31(27)21-19-17-15-11-9-7-5-2/h4-22H2,1-3H3,(H,29,32,33)