1,3-dimethyl-8-methylsulfanyl-7-octyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-methylsulfanyl-7-octyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-methylsulfanyl-7-octyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(methylthio)-7-octylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-methylsulfanyl-7-octylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(methylthio)-7-octyl-xanthine Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1SC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H26N4O2S/c1-5-6-7-8-9-10-11-20-12-13(17-15(20)23-4)18(2)16(22)19(3)14(12)21/h5-11H2,1-4H3