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

Systemtic Name: 8-hexylsulfanyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-hexylsulfanyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(hexylthio)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-hexylsulfanyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(hexylthio)-7H-xanthine Formula: C11H16N4O2S MolecularWeight: 268.33534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CCCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C11H16N4O2S/c1-2-3-4-5-6-18-11-12-7-8(14-11)13-10(17)15-9(7)16/h2-6H2,1H3,(H3,12,13,14,15,16,17)