3,7-dimethyl-8-octylsulfanyl-purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 3,7-dimethyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(octylthio)purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 3,7-dimethyl-8-(octylthio)xanthine Formula: C15H24N4O2S MolecularWeight: 324.44166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H24N4O2S/c1-4-5-6-7-8-9-10-22-15-16-12-11(18(15)2)13(20)17-14(21)19(12)3/h4-10H2,1-3H3,(H,17,20,21)