3,7-Dimethyl-8-Methylsulfanyl-Purine-2,6-Dione
[CAS# 40959-23-7]

Identification

• Name: 3,7-Dimethyl-8-Methylsulfanyl-Purine-2,6-Dione
• Synonyms: 3,7-Dimethyl-8-Methylsulfanyl-Purine-2,6-Dione; 3,7-Dimethyl-8-(Methylthio)Purine-2,6-Dione; 3,7-Dimethyl-8-(Methylthio)Xanthine
• Molecular Formula: C₈H₁₀N₄O₂S
• Molecular Weight: 226.25
• CAS Registry Number: 40959-23-7
• SMILES: C[N]1C2=C(N=C1SC)N(C(=O)NC2=O)C
• 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)
• InChIKey: PMWPLYPRAQKOAU-UHFFFAOYSA-N

Properties

• Density: 1.595g/cm³ (Cal.)