Molecule Editor

Molecule ID: FYI-1005523 Edit

Molecule Structure InChIKey: GEPUGUGSNUZJJZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1[nH]cnc2c1ncn2C4CC(OCc3ccccc3N(=O)=O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005523
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
   16.4708    1.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1014    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6688    0.2910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3626    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7952    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1646    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3110    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0320    4.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0029    4.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335    4.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    5.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8841    6.9582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8437    7.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1348    9.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4663    9.6971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7573   11.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0944   10.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7629    9.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718    8.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5122    7.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.5597    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    1.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.6597    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    5.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6597    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    3.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.8721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.6597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    1.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7661    2.6903    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  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  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  2  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 16  1  0  0  0  0
 25 13  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
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  2  0  0  0  0
 38 31  2  0  0  0  0
 39 28  2  0  0  0  0
 40 25  1  0  0  0  0
 40 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005523-3D
FYIcenter.com

 60 63  0  0  1  0  0  0  0  0999 V2000
    0.2799   -2.1342    0.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3475   -2.5342    0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128   -3.3296    1.6267 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5948   -3.8201    2.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7819   -3.6084    1.6689 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -2.8345    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -2.2785   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141   -1.6041   -1.2024 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3145   -1.7902   -1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8273   -2.4854   -0.2163 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992   -2.9313   -0.0326 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8840   -2.5024    1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3577   -2.4728    0.8829 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9344   -3.7738    1.0597 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3582   -3.7511    0.9786 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9668   -5.1036    1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4879   -5.6940   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1095   -6.9341   -0.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2049   -7.6024    1.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6859   -7.0348    2.3271 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0784   -5.7805    2.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5890   -5.1590    3.4838 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0998   -4.0789    3.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7022   -5.7568    4.1040 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2743   -2.0193   -0.5759 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.4047   -2.3727   -1.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6515   -1.8660   -1.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6583   -0.1374   -1.0747 P   0  0  3  0  0  0  0  0  0  0  0  0
   12.0838   -0.1275   -0.5271 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8630   -0.1983   -2.6935 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6651    1.5913   -1.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6368    2.3886   -0.2046 P   0  0  3  0  0  0  0  0  0  0  0  0
    9.6522    1.9827    1.2280 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1333    3.9092   -0.3994 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2264    2.4323   -0.9270 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0128    1.4484   -0.7151 P   0  0  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
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 39 60  1  0  0  0  0
M  END
$$$$