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

Systemtic Name: 8-heptylsulfanyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-heptylsulfanyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(heptylthio)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-heptylsulfanyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(heptylthio)-7H-xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CCCCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C12H18N4O2S/c1-2-3-4-5-6-7-19-12-13-8-9(15-12)14-11(18)16-10(8)17/h2-7H2,1H3,(H3,13,14,15,16,17,18)