HCID67258121

1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-phenyl-3-(piperidin-4-yl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione hydrochloride

1-[(1-ethylpyrazol-4-yl)methyl]-6-phenyl-3-piperidin-4-ylthieno[3,2-d]pyrimidine-2,4-dione;hydrochloride

C23H26ClN5O2S472 g/mol

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IDENTITY

结构与身份

标准SMILES: CCn1cc(Cn2c(=O)n(C3CCNCC3)c(=O)c3sc(-c4ccccc4)cc32)cn1.Cl
InChIKey: CRGJKQLPYUNSLH-UHFFFAOYSA-N
分子式: C23H26ClN5O2S
平均分子量: 472 g/mol
单同位素质量: 471.149574

COMPUTED

结构计算性质

已同步

极性表面积: 98.7 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 5
重原子: 32
形式电荷: 0
复杂度: 666

ALIASES

名称与别名

共 3 条

SCHEMBL2041371CRGJKQLPYUNSLH-UHFFFAOYSA-N1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-6-phenyl-3-(piperidin-4-yl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione hydrochloride

REACTIONS

参与反应

2 条

uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09018175B2

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uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09018175B2

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