2,4(1H,3H)-Pyrimidinedione,5-(methylthio)-结构式

2,4(1H,3H)-Pyrimidinedione,5-(methylthio)-
英文名称:2,4(1H,3H)-Pyrimidinedione,5-(methylthio)-
CAS No.:16350-59-7
分子式:C5H6N2O2S 分子量:158.17834
2,4(1H,3H)-Pyrimidinedione,5-(methylthio)- 数据
Mol:
0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    0.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  3  2  0  0  0  0
M  END                                
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2,4(1H,3H)-Pyrimidinedione,5-(methylthio)- Smile 编码:
CSC1=CNC(=O)NC1=O
2,4(1H,3H)-Pyrimidinedione,5-(methylthio)- InChi 编码:
InChI=1S/C5H6N2O2S/c1-10-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
2,4(1H,3H)-Pyrimidinedione,5-(methylthio)- InChiKey 编码:
HIDROJVLHKPMPH-UHFFFAOYSA-N