Molecule Editor

Molecule ID: FYI-1004628 Edit

Molecule Structure InChIKey: QHSMGFJQVIMNOD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(/C(N)=N/OC(=O)Nc3cc(N)c(O)c(Cn2cnc1ncnc(N)c12)c3)no4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004628
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   14.5202    7.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    7.7843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910    8.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7837    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5857    1.0403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6490    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4776    1.9135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0584    6.8630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    6.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 27 21  1  0  0  0  0
 28 27  2  0  0  0  0
 28 19  1  0  0  0  0
 29 17  2  0  0  0  0
 29 11  1  0  0  0  0
 30  9  2  0  0  0  0
 31  4  2  0  0  0  0
 32 31  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004628-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -2.8954    0.0264    6.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8998   -0.2533    4.5802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2020   -1.3574    3.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0336   -0.9390    2.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2642   -1.7374    1.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5348  -10.0198    0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2590  -10.1146   -1.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$