uspto-grants-2006_08 · 10.6084/m9.figshare.5104873.v1 · US07087603B2
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1cc(Nc2cc(N3CCOCC3)nc(S(C)(=O)=O)n2)[nH]n1
- InChIKey
- ZDXKIDLRPHHKSR-UHFFFAOYSA-N
- 分子式
- C13H18N6O3S
- 平均分子量
- 338.39 g/mol
- 单同位素质量
- 338.11610963
COMPUTED
结构计算性质
- XLogP
- 0.8
- 极性表面积
- 121 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 4
- 重原子
- 23
- 形式电荷
- 0
- 复杂度
- 492
ALIASES
名称与别名
(2-methylsulfonyl-6-(morpholin-4-yl)-pyrimidin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amine[2-methylsulfonyl-6-(morpholin-4-yl)-pyrimidin-4-yl]-(5-methyl-2H-pyrazol-3-yl)-amineSCHEMBL2205962ZDXKIDLRPHHKSR-UHFFFAOYSA-N[2-methylsulfonyl-6-(morpholin-4-yl)-pyrimidin-4-yl]-(5-methyl-2H-pyrazol-3-yl)amine
REACTIONS
参与反应
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