9-methyl-8-methylsulfanyl-3H-purine-2,6-dione

Systemtic Name: 9-methyl-8-methylsulfanyl-3H-purine-2,6-dione Openeye Name: 9-methyl-8-methylsulfanyl-3H-purine-2,6-dione CAS Name: 9-methyl-8-(methylthio)-3H-purine-2,6-dione IUPAC Name: 9-methyl-8-methylsulfanyl-3H-purine-2,6-dione Traditional Name: 9-methyl-8-(methylthio)xanthine Formula: C7H8N4O2S MolecularWeight: 212.22902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC(=O)N2)N=C1SC

Isomeric SMILES

CN1C2=C(C(=O)NC(=O)N2)N=C1SC

InChI

InChI=1S/C7H8N4O2S/c1-11-4-3(8-7(11)14-2)5(12)10-6(13)9-4/h1-2H3,(H2,9,10,12,13)