uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09359359B2
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HCID90402780
3-methyl-1-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)-8-(3-(trifluoromethoxy)phenoxy)-7-((2-(trimethylsilyl)ethoxy)methyl)-1H-purine-2,6(3H,7H)-dione
3-methyl-1-[3-(oxan-2-yloxy)propyl]-8-[3-(trifluoromethoxy)phenoxy]-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione
C27H37F3N4O7Si614.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cn1c(=O)n(CCCOC2CCCCO2)c(=O)c2c1nc(Oc1cccc(OC(F)(F)F)c1)n2COCC[Si](C)(C)C
- InChIKey
- LQZXPEQGLNELFN-UHFFFAOYSA-N
- 分子式
- C27H37F3N4O7Si
- 平均分子量
- 614.7 g/mol
- 单同位素质量
- 614.23836055
COMPUTED
结构计算性质
- 极性表面积
- 105 Ų
- 氢键供体
- 0
- 氢键受体
- 11
- 可旋转键
- 13
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 912
ALIASES
名称与别名
3-methyl-1-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)-8-(3-(trifluoromethoxy)phenoxy)-7-((2-(trimethylsilyl)ethoxy)methyl)-1H-purine-2,6(3H,7H)-dioneSCHEMBL16028215
REACTIONS
参与反应