1,3-dimethyl-8-methylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-methylsulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-methylsulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(methylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-methylsulfanyl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(methylthio)-7H-purine-2,6-quinone Formula: C8H10N4O2S MolecularWeight: 226.2556

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC

InChI

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