6-(甲硫基)嘌呤结构式

中文名称:6-(甲硫基)嘌呤
英文名称:6-methylsulfanyl-7H-purine
CAS No.:50-66-8
分子式:C6H6N4S 分子量:166.20364
6-(甲硫基)嘌呤 数据
Mol:
   1.1677    2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677    0.7850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5274    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8870    0.7850    0.0000 N   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  3  1  0  0  0  0
M  END                                
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6-(甲硫基)嘌呤 Smile 编码:
CSC1=C2NC=NC2=NC=N1
6-(甲硫基)嘌呤 InChi 编码:
InChI=1S/C6H6N4S/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
6-(甲硫基)嘌呤 InChiKey 编码:
UIJIQXGRFSPYQW-UHFFFAOYSA-N