萘莫司他结构式

中文名称:萘莫司他
英文名称:Nafamostat
CAS No.:81525-10-2
分子式:C19H17N5O2 分子量:347.370583295822
萘莫司他 数据
Mol:
.1962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -7.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -9.0933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000  -10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -10.3923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500  -11.6913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  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
 10 11  2  0
 11 12  1  0
 12 13  2  0
  9 14  1  0
 14 15  2  0
 14 16  1  0
  2 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
  4 13  1  0
 12  7  1  0
 22 17  1  0
M  END                                
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萘莫司他 Smile 编码:
O=C(C1C=CC(NC(N)=N)=CC=1)OC1C=C2C(C=C(C(N)=N)C=C2)=CC=1
萘莫司他 InChi 编码:
1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23/h1-10H,(H3,20,21)(H4,22,23,24)
萘莫司他 InChiKey 编码:
MQQNFDZXWVTQEH-UHFFFAOYSA-N