8-pentylsulfanyl-3,5-dihydropurine-2,6-dione

Systemtic Name: 8-pentylsulfanyl-3,5-dihydropurine-2,6-dione Openeye Name: 8-pentylsulfanyl-3,5-dihydropurine-2,6-dione CAS Name: 8-(pentylthio)-3,5-dihydropurine-2,6-dione IUPAC Name: 8-pentylsulfanyl-3,5-dihydropurine-2,6-dione Traditional Name: 8-(amylthio)-3,5-dihydropurine-2,6-quinone Formula: C10H14N4O2S MolecularWeight: 254.30876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2C(=N1)NC(=O)NC2=O

Isomeric SMILES

CCCCCSC1=NC2C(=N1)NC(=O)NC2=O

InChI

InChI=1S/C10H14N4O2S/c1-2-3-4-5-17-10-11-6-7(13-10)12-9(16)14-8(6)15/h6H,2-5H2,1H3,(H2,11,12,13,14,15,16)