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

Systemtic Name: 3,9-dimethyl-8-methylsulfanyl-purine-2,6-dione Openeye Name: 3,9-dimethyl-8-methylsulfanyl-purine-2,6-dione CAS Name: 3,9-dimethyl-8-(methylthio)purine-2,6-dione IUPAC Name: 3,9-dimethyl-8-methylsulfanylpurine-2,6-dione Traditional Name: 3,9-dimethyl-8-(methylthio)xanthine Formula: C8H10N4O2S MolecularWeight: 226.2556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=C(N2C)SC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=C(N2C)SC

InChI

InChI=1S/C8H10N4O2S/c1-11-6-4(5(13)10-7(11)14)9-8(15-3)12(6)2/h1-3H3,(H,10,13,14)