HCID19690684

5,6-diethyl-2-(3-formylphenyl)-3-propargyl-4(3H)-pyrimidinone

3-(4,5-diethyl-6-oxo-1-prop-2-ynylpyrimidin-2-yl)benzaldehyde

C18H18N2O2294.3 g/mol

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IDENTITY

结构与身份

标准SMILES: C#CCn1c(-c2cccc(C=O)c2)nc(CC)c(CC)c1=O
InChIKey: NWEUNPGAAFVWCE-UHFFFAOYSA-N
分子式: C18H18N2O2
平均分子量: 294.3 g/mol
单同位素质量: 294.13682782

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 49.7 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 5
重原子: 22
形式电荷: 0
复杂度: 565

ALIASES

名称与别名

共 4 条

SCHEMBL8677259NWEUNPGAAFVWCE-UHFFFAOYSA-N5,6-diethyl-2-(3-formyl-phenyl)-3-propargyl-4(3H)-pyrimidinone5,6-diethyl-2-(3-formylphenyl)-3-propargyl-4(3H)-pyrimidinone

REACTIONS

相关反应

7 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726124

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726124

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1994_04 · 10.6084/m9.figshare.5104873.v1 · US05300477

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uspto-grants-1994_04 · 10.6084/m9.figshare.5104873.v1 · US05300477

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uspto-grants-1995_09 · 10.6084/m9.figshare.5104873.v1 · US05453414

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uspto-grants-1995_09 · 10.6084/m9.figshare.5104873.v1 · US05453414

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