1,3,7-trimethyl-8-octylsulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-octylsulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-octylsulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(octylthio)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-octylsulfanylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(octylthio)xanthine Formula: C16H26N4O2S MolecularWeight: 338.46824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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