羟基硫代高西地那非结构式

羟基硫代高西地那非
中文名称:羟基硫代高西地那非
英文名称:Hydroxythiohomo Sildenafil
CAS No.:479073-82-0
分子式:C23H32N6O4S2 分子量:520.66798
羟基硫代高西地那非 数据
Mol:
5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5176   13.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1914   14.8817    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2421   16.0483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6291   15.0460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9902   13.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4546   13.2842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4039   14.4507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8682   14.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773   12.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2369   13.3450    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773   10.9900    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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 13  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 25 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 22  2  0  0  0  0
M  END                                
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羟基硫代高西地那非 Smile 编码:
OCCN1CCN(S(C2C=CC(OCC)=C(C3=NC(=S)C4N(N=C(CCC)C=4N3)C)C=2)(=O)=O)CC1
羟基硫代高西地那非 InChi 编码:
InChI=1S/C23H32N6O4S2/c1-4-6-18-20-21(27(3)26-18)23(34)25-22(24-20)17-15-16(7-8-19(17)33-5-2)35(31,32)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,34)
羟基硫代高西地那非 InChiKey 编码:
XZVSAQIQEGFWQS-UHFFFAOYSA-N