7-ethyl-3-methyl-8-methylsulfanyl-purine-2,6-dione

Systemtic Name: 7-ethyl-3-methyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 7-ethyl-3-methyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 7-ethyl-3-methyl-8-(methylthio)purine-2,6-dione IUPAC Name: 7-ethyl-3-methyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 7-ethyl-3-methyl-8-(methylthio)xanthine Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

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