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

Systemtic Name: 8-hexylsulfanyl-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-hexylsulfanyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(hexylthio)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-hexylsulfanyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(hexylthio)-3,7-dimethyl-xanthine Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

InChI=1S/C13H20N4O2S/c1-4-5-6-7-8-20-13-14-10-9(16(13)2)11(18)15-12(19)17(10)3/h4-8H2,1-3H3,(H,15,18,19)