HCID6448859

1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-

1,3-diethyl-8-[(E)-2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-7H-purine-2,6-dione

C20H24N4O3368.4 g/molCAS 155271-08-2

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IDENTITY

结构与身份

标准SMILES: CCn1c(=O)c2[nH]c(/C=C/c3cc(C)c(OC)cc3C)nc2n(CC)c1=O
InChIKey: WUCSCFFXSLSBFH-CMDGGOBGSA-N
分子式: C20H24N4O3
平均分子量: 368.4 g/mol
单同位素质量: 368.18484064

COMPUTED

结构计算性质

已同步

XLogP: 4.3
极性表面积: 78.5 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 5
重原子: 27
形式电荷: 0
复杂度: 596

ALIASES

名称与别名

共 6 条

155271-08-21H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-, (E)-RefChem:1058282(E)-1,3-Diethyl-8-(4-methoxy-2,5-dimethylstyryl)xanthineSCHEMBL7308317WUCSCFFXSLSBFH-CMDGGOBGSA-N

REACTIONS

相关反应

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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