8-butylsulfanyl-1,3,9-trimethyl-purine-2,6-dione

Systemtic Name: 8-butylsulfanyl-1,3,9-trimethyl-purine-2,6-dione Openeye Name: 8-butylsulfanyl-1,3,9-trimethyl-purine-2,6-dione CAS Name: 8-(butylthio)-1,3,9-trimethylpurine-2,6-dione IUPAC Name: 8-butylsulfanyl-1,3,9-trimethylpurine-2,6-dione Traditional Name: 8-(butylthio)-1,3,9-trimethyl-xanthine Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCSC1=NC2=C(N1C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H18N4O2S/c1-5-6-7-19-11-13-8-9(14(11)2)15(3)12(18)16(4)10(8)17/h5-7H2,1-4H3