uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835632B2
查看![8-[1-Cyano-4-(1,3-dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidene)-but-2-enylidene]-10,10-dimethyl-8,10-dihydro-pyrido[1,2-a]indol-2-ylmethyl-ammonium iodide 分子结构式](/api/mol/86651204/svg/360x280.svg)
HCID86651204
8-[1-Cyano-4-(1,3-dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidene)-but-2-enylidene]-10,10-dimethyl-8,10-dihydro-pyrido[1,2-a]indol-2-ylmethyl-ammonium iodide
[8-[1-cyano-4-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)but-2-enylidene]-10,10-dimethylpyrido[1,2-a]indol-2-yl]methylazanium iodide
C26H26IN5O3583.4 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CN1C(=O)C(=CC=CC(C#N)=C2C=CN3C(=C2)C(C)(C)c2cc(C[NH3+])ccc23)C(=O)N(C)C1=O.[I-]
- InChIKey
- DXEZOGZGSGNQAK-UHFFFAOYSA-N
- 分子式
- C26H26IN5O3
- 平均分子量
- 583.4 g/mol
- 单同位素质量
- 583.10804
COMPUTED
结构计算性质
- 极性表面积
- 112 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 3
- 重原子
- 35
- 形式电荷
- 0
- 复杂度
- 1,120
物化、安全与法规信息正在同步。
ALIASES
名称与别名
DXEZOGZGSGNQAK-UHFFFAOYSA-N8-[1-Cyano-4-(1,3-dimethyl-2,4,6-trioxo-tetrahydro-pyrimidin-5-ylidene)-but-2-enylidene]-10,10-dimethyl-8,10-dihydro-pyrido[1,2-a]indol-2-ylmethyl-ammonium iodide
REACTIONS
参与反应