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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SC)N(C(=O)NC2=O)C

InChI

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