HCID738682

7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione

8-chloro-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione

C10H11ClN4O2254.67 g/mol

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IDENTITY

结构与身份

标准SMILES: C=CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C
InChIKey: GURIFJBXOUVHNC-UHFFFAOYSA-N
分子式: C10H11ClN4O2
平均分子量: 254.67 g/mol
单同位素质量: 254.0570533

COMPUTED

结构计算性质

等待补全

XLogP: 1.3
极性表面积: 58.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 17
形式电荷: 0
复杂度: 375

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 12 条

Oprea1_574494Oprea1_8234427-allyl-8-chlorotheophyllineSCHEMBL5718940GURIFJBXOUVHNC-UHFFFAOYSA-NSTK804421AKOS000621126SR-01000461909SR-01000461909-17-allyl-8-chloro-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione7-Allyl-8-chloro-1,3-dimethyl-3,7-dihydropurine-2,6-dione8-chloro-1,3-dimethyl-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione

REACTIONS