HCID6448882

1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-methylphenyl)ethenyl)-, (E)-

1,3-diethyl-8-[(E)-2-(4-methylphenyl)ethenyl]-7H-purine-2,6-dione

C18H20N4O2324.4 g/molCAS 155271-36-6

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IDENTITY

结构与身份

标准SMILES: CCn1c(=O)c2[nH]c(/C=C/c3ccc(C)cc3)nc2n(CC)c1=O
InChIKey: ABVZCSRAHASBGV-ZHACJKMWSA-N
分子式: C18H20N4O2
平均分子量: 324.4 g/mol
单同位素质量: 324.15862589

COMPUTED

结构计算性质

已同步

XLogP: 3.9
极性表面积: 69.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 4
重原子: 24
形式电荷: 0
复杂度: 513

ALIASES

名称与别名

共 7 条

1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-methylphenyl)ethenyl)-, (E)-155271-36-6RefChem:1058323(E)-1,3-Diethyl-8-(4-methylstyryl)xanthine(E)-1,3-Diethyl-8-(2-(4-methylphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dioneSCHEMBL7305598ABVZCSRAHASBGV-ZHACJKMWSA-N

REACTIONS

参与反应

3 条

uspto-grants-1996_01 · 10.6084/m9.figshare.5104873.v1 · US05484920

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uspto-grants-1996_08 · 10.6084/m9.figshare.5104873.v1 · US05543415

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uspto-grants-1996_12 · 10.6084/m9.figshare.5104873.v1 · US05587378

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