HCID59605812

4-(8-(bromomethyl)-9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9H-purin-6-yl)morpholine

4-[8-(bromomethyl)-9-methyl-2-(2-methylbenzimidazol-1-yl)purin-6-yl]morpholine

C19H20BrN7O442.3 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Cc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CBr)n(C)c2n1
InChIKey: STIJSXPOJBBZMY-UHFFFAOYSA-N
分子式: C19H20BrN7O
平均分子量: 442.3 g/mol
单同位素质量: 441.09127

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 73.9 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 3
重原子: 28
形式电荷: 0
复杂度: 550

ALIASES

名称与别名

共 3 条

SCHEMBL2674193STIJSXPOJBBZMY-UHFFFAOYSA-N4-(8-(bromomethyl)-9-methyl-2-(2-methyl-1H-benzo[d]imidazol-1-yl)-9H-purin-6-yl)morpholine

REACTIONS

参与反应

134 条

HRID 115953 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 120957 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 123676 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 138218 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 142148 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 146730 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 148759 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 148819 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D