1,3-Dimethyl-7-(3-Oxo-1H-2-Benzofuran-1-Yl)Purine-2,6-Dione
[CAS# 107745-64-2]

Identification

• Name: 1,3-Dimethyl-7-(3-Oxo-1H-2-Benzofuran-1-Yl)Purine-2,6-Dione
• Synonyms: 1,3-Dimethyl-7-(3-Oxo-1H-Isobenzofuran-1-Yl)Purine-2,6-Dione; 7-(3-Keto-1H-Isobenzofuran-1-Yl)-1,3-Dimethyl-Xanthine; 7-(1,3-Dihydro-3-Oxo-1-Isobenzofuranyl)-3,7-Dihydro-1,3-Dimethyl-1H-Purine-2,6-Dione
• Molecular Formula: C₁₅H₁₂N₄O₄
• Molecular Weight: 312.28
• CAS Registry Number: 107745-64-2
• SMILES: C1=NC4=C([N]1C2OC(C3=C2C=CC=C3)=O)C(N(C(N4C)=O)C)=O
• InChI: 1S/C15H12N4O4/c1-17-11-10(12(20)18(2)15(17)22)19(7-16-11)13-8-5-3-4-6-9(8)14(21)23-13/h3-7,13H,1-2H3
• InChIKey: GVEJSNXAWZPMNK-UHFFFAOYSA-N

Properties

• Density: 1.612g/cm³ (Cal.)
• Boiling point: 626.274°C at 760 mmHg (Cal.)
• Flash point: 332.559°C (Cal.)