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

Systemtic Name: 8-pentylsulfanyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-pentylsulfanyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(pentylthio)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-pentylsulfanyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(amylthio)-7H-xanthine Formula: C10H14N4O2S MolecularWeight: 254.30876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CCCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C10H14N4O2S/c1-2-3-4-5-17-10-11-6-7(13-10)12-9(16)14-8(6)15/h2-5H2,1H3,(H3,11,12,13,14,15,16)