6-氨基-5-氯-N-[(1R)-1-[5-[[[5-氯-4-(三氟甲基)-2-吡啶基]氨基]羰基]-2-噻唑基]乙基]-4-嘧啶甲酰胺结构式

中文名称:6-氨基-5-氯-N-[(1R)-1-[5-[[[5-氯-4-(三氟甲基)-2-吡啶基]氨基]羰基]-2-噻唑基]乙基]-4-嘧啶甲酰胺
英文名称:2-[(1R)-1-[(6-Amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide
CAS No.:1096708-71-2
分子式:C17H12Cl2F3N7O2S 分子量:506.2891
6-氨基-5-氯-N-[(1R)-1-[5-[[[5-氯-4-(三氟甲基)-2-吡啶基]氨基]羰基]-2-噻唑基]乙基]-4-嘧啶甲酰胺 数据
Mol:
7983   11.2712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386   12.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4386   13.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790   11.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0790    9.7012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193    8.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597    9.7012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3597   11.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   12.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7193   13.6262    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.0562    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  6  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  3  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 14 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END                                
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6-氨基-5-氯-N-[(1R)-1-[5-[[[5-氯-4-(三氟甲基)-2-吡啶基]氨基]羰基]-2-噻唑基]乙基]-4-嘧啶甲酰胺 Smile 编码:
C[C@@H](NC(C1C(Cl)=C(N)N=CN=1)=O)C1SC(C(NC2=CC(C(F)(F)F)=C(Cl)C=N2)=O)=CN=1
6-氨基-5-氯-N-[(1R)-1-[5-[[[5-氯-4-(三氟甲基)-2-吡啶基]氨基]羰基]-2-噻唑基]乙基]-4-嘧啶甲酰胺 InChi 编码:
1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1
6-氨基-5-氯-N-[(1R)-1-[5-[[[5-氯-4-(三氟甲基)-2-吡啶基]氨基]羰基]-2-噻唑基]乙基]-4-嘧啶甲酰胺 InChiKey 编码:
VWMJHAFYPMOMGF-ZCFIWIBFSA-N