HCID18444793

3-(2,6-difluoro-3,5-dimethoxy-phenyl)-1-ethyl-7-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one

C17H18F2N4O3S396.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc(SC)nc21
InChIKey: VXTBXPUBEZLEMC-UHFFFAOYSA-N
分子式: C17H18F2N4O3S
平均分子量: 396.4 g/mol
单同位素质量: 396.10676795

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 93.1 Å²
氢键供体: 0
氢键受体: 8
可旋转键: 5
重原子: 27
形式电荷: 0
复杂度: 518

ALIASES

名称与别名

共 4 条

SCHEMBL4404764VXTBXPUBEZLEMC-UHFFFAOYSA-N3-(2,6-Difluoro-3,5-dimethoxy-phenyl)-1-ethyl-7-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d] pyrimidin-2-one3-(2,6-difluoro-3,5-dimethoxy-phenyl)-1-ethyl-7-methylsulfanyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one

REACTIONS

参与反应

4 条

uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07196090B2

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uspto-grants-2007_03 · 10.6084/m9.figshare.5104873.v1 · US07196090B2

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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