8-octylsulfanyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-octylsulfanyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-octylsulfanyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(octylthio)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-octylsulfanyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(octylthio)-7H-xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C13H20N4O2S/c1-2-3-4-5-6-7-8-20-13-14-9-10(16-13)15-12(19)17-11(9)18/h2-8H2,1H3,(H3,14,15,16,17,18,19)