HCID178509059

6-Amino-9-benzyl-8-hydroxy-2-mercaptopurine

6-amino-9-benzyl-2-sulfanylidene-1,7-dihydropurin-8-one

C12H11N5OS273.32 g/mol

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IDENTITY

结构与身份

标准SMILES: Nc1nc(S)nc2c1nc(O)n2Cc1ccccc1
InChIKey: YVHWMATXRMXZJI-UHFFFAOYSA-N
分子式: C12H11N5OS
平均分子量: 273.32 g/mol
单同位素质量: 273.06843116

COMPUTED

结构计算性质

已同步

XLogP: 0.4
极性表面积: 115 Å²
氢键供体: 3
氢键受体: 3
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 492

ALIASES

名称与别名

共 10 条

226908-20-96-Amino-9-benzyl-8-hydroxy-2-mercaptopurine6-Amino-9-benzyl-2-thioxo-7,9-dihydro-1H-purin-8(2H)-oneCHEMBL151582SCHEMBL2060319SCHEMBL2060321SCHEMBL18207658DTXSID50455925YVHWMATXRMXZJI-UHFFFAOYSA-N6-Amino-9-benzyl-2-sulfanylidene-1,2,7,9-tetrahydro-8H-purin-8-one

REACTIONS

参与反应

59 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 92404 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物

HRID 113998 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 143572 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 152049 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 163212 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物

HRID 172225 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

HRID 184295 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

HRID 187629 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D