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

Systemtic Name: 8-decylsulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-decylsulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(decylthio)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-decylsulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(decylthio)-1,3,7-trimethyl-xanthine Formula: C18H30N4O2S MolecularWeight: 366.5214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCCSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H30N4O2S/c1-5-6-7-8-9-10-11-12-13-25-17-19-15-14(20(17)2)16(23)22(4)18(24)21(15)3/h5-13H2,1-4H3