Molecule Editor

Molecule ID: FYI-1017432 Edit

Molecule Structure InChIKey: JFRJCQJVFMHZOO-QZHHGCDDSA-N

Molecule Structure SMILES String: NCCNC(=O)Cc5ccc(NC(=O)Cc4ccc(Nc1ncnc2c1ncn2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1017432
FYIcenter.com

 42 46  0  0  1  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5493    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8022    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2326    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8403    4.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1715    2.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7410    1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1333    1.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4244    2.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2120    3.6824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7033    3.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8497    4.9443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0701    0.5727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0410    0.2542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
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 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24  3  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
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 31 27  1  0  0  0  0
 32 31  1  0  0  0  0
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 33 26  1  0  0  0  0
 34 31  1  6  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 38 34  1  0  0  0  0
 37 39  1  6  0  0  0
 40 39  1  0  0  0  0
 36 41  1  1  0  0  0
 35 42  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017432-3D
FYIcenter.com

 74 78  0     1  0  0  0  0  0999 V2000
    8.5928    0.8308   -0.6299 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8382   -0.5068    0.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3334    1.5367   -0.9646 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5482    2.2428    0.9587 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$