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

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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

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

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

作为反应物

HRID 115953 方程式

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

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

作为反应物

HRID 120957 方程式

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

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

作为反应物

HRID 123676 方程式

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

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

作为反应物

HRID 138218 方程式

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

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

作为反应物

HRID 142148 方程式

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

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

作为反应物

HRID 146730 方程式

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

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

作为反应物

HRID 148759 方程式

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

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

作为反应物

HRID 148819 方程式

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

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