8-ethylsulfanyl-3,9-dimethyl-purine-2,6-dione

Systemtic Name: 8-ethylsulfanyl-3,9-dimethyl-purine-2,6-dione Openeye Name: 8-ethylsulfanyl-3,9-dimethyl-purine-2,6-dione CAS Name: 8-(ethylthio)-3,9-dimethylpurine-2,6-dione IUPAC Name: 8-ethylsulfanyl-3,9-dimethylpurine-2,6-dione Traditional Name: 8-(ethylthio)-3,9-dimethyl-xanthine Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(N1C)N(C(=O)NC2=O)C

Isomeric SMILES

CCSC1=NC2=C(N1C)N(C(=O)NC2=O)C

InChI

InChI=1S/C9H12N4O2S/c1-4-16-9-10-5-6(14)11-8(15)12(2)7(5)13(9)3/h4H2,1-3H3,(H,11,14,15)