5-bromo-8-methoxy-quinazolin-4-amine结构式

5-bromo-8-methoxy-quinazolin-4-amine
英文名称:5-bromo-8-methoxy-quinazolin-4-amine
CAS No.:2190538-80-6
分子式:C9H8BrN3O 分子量:254.083320617676
5-bromo-8-methoxy-quinazolin-4-amine 数据
Mol:
00 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.8563    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.8563    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0      
  2  3  2  0      
  3  4  1  0      
  4  5  2  0      
  5  6  1  0      
  6  7  2  0      
  7  8  1  0      
  8  9  2  0      
  9 10  1  0      
  1 10  2  0      
  5 10  1  0      
  4 11  1  0      
 12 13  1  0      
  9 12  1  0      
  6 14  1  0      
M  END                                
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5-bromo-8-methoxy-quinazolin-4-amine Smile 编码:
N1=C2C(C(Br)=CC=C2OC)=C(N)N=C1
5-bromo-8-methoxy-quinazolin-4-amine InChi 编码:
1S/C9H8BrN3O/c1-14-6-3-2-5(10)7-8(6)12-4-13-9(7)11/h2-4H,1H3,(H2,11,12,13)
5-bromo-8-methoxy-quinazolin-4-amine InChiKey 编码:
SDTLJWDWNYUQOV-UHFFFAOYSA-N