Molecule Editor

Molecule ID: FYI-1005521 Edit

Molecule Structure InChIKey: OEGTUVRTJIQPPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: N#N=NCOC3CC(n2cnc1c(=O)[nH]c(N)nc12)OC3COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005521
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   10.0028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    1.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    2.2370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7952    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1646    1.3156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3109    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0320    3.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8856    4.6698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0182    5.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2972    4.9232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7226    2.9615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    5.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8437    6.5477    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1348    7.9171    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4258    9.2866    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  5  1  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  6  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 16 12  1  0  0  0  0
 17  3  1  0  0  0  0
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 19 18  1  0  0  0  0
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 21 19  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
 31  2  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005521-3D
FYIcenter.com

 52 54  0     1  0  0  0  0  0999 V2000
    3.8167    1.3100   -0.8782 P   0  0  1  0  0  0  0  0  0  0  0  0
    3.7447   -1.4130    0.2381 P   0  0  2  0  0  0  0  0  0  0  0  0
    1.1042   -2.7278    0.2936 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9346    2.8072   -1.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4050    1.2557    1.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6882    2.4641   -0.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1232   -0.0006   -0.2368 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8766    0.9617   -2.4568 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1433    1.6632   -0.2709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7041   -2.3950   -0.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -2.1663    0.9155 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6739   -1.0218    1.5016 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4391   -2.1989   -0.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5984   -3.9221   -0.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2453   -1.6872   -0.3625 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3452    0.2108    0.8061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9544   -1.8612   -1.9495 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345   -0.4535    2.9725 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9539   -0.7785    2.7922 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.0434   -1.0710    2.6248 N   0  5  0  0  0  0  0  0  0  0  0  0
    0.3008    2.6612    0.9852 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
$$$$