Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
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HCID57477889
4-(2-cyano-1-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]-pyrimidin-4-yl)-1H-pyrazol-1-yl]ethyl)thiophene-2-carbonitrile
4-[2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]thiophene-2-carbonitrile
C23H25N7OSSi475.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)c4csc(C#N)c4)c3)ncnc21
- InChIKey
- LUJVZXGXYCVFBS-UHFFFAOYSA-N
- 分子式
- C23H25N7OSSi
- 平均分子量
- 475.6 g/mol
- 单同位素质量
- 475.16105615
COMPUTED
结构计算性质
- 极性表面积
- 134 Ų
- 氢键供体
- 0
- 氢键受体
- 7
- 可旋转键
- 9
- 重原子
- 33
- 形式电荷
- 0
- 复杂度
- 761
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL98852LUJVZXGXYCVFBS-UHFFFAOYSA-N4-(2-cyano-1-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]-pyrimidin-4-yl)-1H-pyrazol-1-yl]ethyl)thiophene-2-carbonitrile
REACTIONS
参与反应
uspto-grants-2013_04 · 10.6084/m9.figshare.5104873.v1 · US08415362B2
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