3-methyl-8-(2-methylpropylsulfanyl)-7-octyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-octyl-purine-2,6-dione Openeye Name: 8-isobutylsulfanyl-3-methyl-7-octyl-purine-2,6-dione CAS Name: 3-methyl-8-(2-methylpropylthio)-7-octylpurine-2,6-dione IUPAC Name: 3-methyl-8-(2-methylpropylsulfanyl)-7-octylpurine-2,6-dione Traditional Name: 8-(isobutylthio)-3-methyl-7-octyl-xanthine Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SCC(C)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H30N4O2S/c1-5-6-7-8-9-10-11-22-14-15(19-18(22)25-12-13(2)3)21(4)17(24)20-16(14)23/h13H,5-12H2,1-4H3,(H,20,23,24)