Molecule Editor

Molecule ID: FYI-1014356 Edit

Molecule Structure InChIKey: QONYMCZYTUAMNQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)n5nc(CC1C=Nc2c1nc(CO)nc2N3CCOCC3)c4cncnc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1014356
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    1.6226    3.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    5.6819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    7.8972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    9.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    9.8588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    7.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4414    6.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8337    6.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6566    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2240    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3566    3.4626    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4892    4.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9934    6.6573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3628    6.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2996    7.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8670    8.7381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7955    5.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8586    3.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2913    2.6630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3544    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7870    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1565    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0933    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6607    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    5.3909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
 30 11  2  0  0  0  0
 30  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014356-3D
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
    2.9200   -0.7005   -0.3794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7270   -0.0007   -1.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224    0.2232    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1331    1.2318   -1.6992 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743    2.4109   -1.0178 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5546    3.3098   -1.9374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7066    4.7579   -1.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    5.2803   -0.5093 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3138    5.1014   -0.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    6.1982   -0.9465 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5386    7.2497   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165    6.7872   -0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8944    7.5487   -0.2251 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    8.8735   -0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913    9.8241   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506   11.0922    0.4896 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306    9.4408   -0.5581 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632    8.6277   -0.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8649    9.1979   -1.0264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9694   10.5316   -1.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941   11.5388   -0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5842    0.3948   -3.9546 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3 36  1  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
$$$$