1,3-Dimethyl-7-(6-Oxo-1H-Pyridazin-3-Yl)Purine-2,6-Dione
[CAS# 139026-57-6]

Identification

• Name: 1,3-Dimethyl-7-(6-Oxo-1H-Pyridazin-3-Yl)Purine-2,6-Dione
• Synonyms: 7-(6-Keto-1H-Pyridazin-3-Yl)-1,3-Dimethyl-Xanthine; 6-(7-Theophylline)-3(2H)-Pyridazinone
• Molecular Formula: C₁₁H₁₀N₆O₃
• Molecular Weight: 274.24
• CAS Registry Number: 139026-57-6
• SMILES: C1=NC3=C([N]1C2=NNC(C=C2)=O)C(N(C(N3C)=O)C)=O
• InChI: 1S/C11H10N6O3/c1-15-9-8(10(19)16(2)11(15)20)17(5-12-9)6-3-4-7(18)14-13-6/h3-5H,1-2H3,(H,14,18)
• InChIKey: YSRWOOQKWUCFIP-UHFFFAOYSA-N

Properties

• Density: 1.705g/cm³ (Cal.)