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

Systemtic Name: 8-butylsulfanyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-butylsulfanyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(butylthio)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-butylsulfanyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-(butylthio)-7H-xanthine Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

Isomeric SMILES

CCCCSC1=NC2=C(N1)C(=O)NC(=O)N2

InChI

InChI=1S/C9H12N4O2S/c1-2-3-4-16-9-10-5-6(12-9)11-8(15)13-7(5)14/h2-4H2,1H3,(H3,10,11,12,13,14,15)