HCID3314397

3-Methyl-7-propylpurine-2,6-dione

C9H12N4O2208.22 g/molCAS 55242-64-3

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IDENTITY

结构与身份

标准SMILES: CCCn1cnc2c1c(=O)[nH]c(=O)n2C
InChIKey: MHNVSFOURBQRPK-UHFFFAOYSA-N
分子式: C9H12N4O2
平均分子量: 208.22 g/mol
单同位素质量: 208.09602564

COMPUTED

结构计算性质

等待补全

XLogP: 0
极性表面积: 67.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 15
形式电荷: 0
复杂度: 294

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 33 条

3-methyl-7-propylpurine-2,6-dioneMHNVSFOURBQRPK-UHFFFAOYSA-RefChem:504064611-243-2InChI=1/C9H12N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5H,3-4H2,1-2H3,(H,11,14,15)3-Methyl-7-propylxanthine55242-64-33-methyl-7-propyl-purine-2,6-dione3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione3-Methyl-7-propyl-3,7-dihydro-1H-purine-2,6-dioneMFCD020893373-METHYL-7-PROPYL-2,6-DIHYDROXYPURINEChemDiv2_0085357UM3-methyl-7-propyl-xanthineOprea1_0997603-methyl-7-pro-pyl-xanthineSCHEMBL1495090DTXSID50391374MHNVSFOURBQRPK-UHFFFAOYSA-N

REACTIONS

参与反应

19 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728686

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728686

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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) · 10.1039/C8SC04228D

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uspto-grants-1999_07 · 10.6084/m9.figshare.5104873.v1 · US05922868

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

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