结构:COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO
HCID104865

Bosentan

4-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzene-1-sulfonamide

C27H29N5O6S551.625 g/molCAS 147536-97-8

IDENTITY

结构与身份

标准 SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO
InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
分子式
C27H29N5O6S
平均分子量
551.625 g/mol
单同位素质量
551.18385465
扩展信息尚未完成同步。

REACTIONS

参与反应

16
HRID97752

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

作为生成物
HRID 97752 方程式

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

查看条件与参与物
HRID954007

Validation data from https://doi.org/10.1039/C8SC04228D

作为生成物
HRID 954007 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看条件与参与物