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

Systemtic Name: 1,3,9-trimethyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 1,3,9-trimethyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 1,3,9-trimethyl-8-(methylthio)purine-2,6-dione IUPAC Name: 1,3,9-trimethyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 1,3,9-trimethyl-8-(methylthio)xanthine Formula: C9H12N4O2S MolecularWeight: 240.28218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SC

InChI

InChI=1S/C9H12N4O2S/c1-11-6-5(10-8(11)16-4)7(14)13(3)9(15)12(6)2/h1-4H3