Molecule Editor

Molecule ID: FYI-1007242 Edit

Molecule Structure InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007242
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   14.0182    5.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2973    4.9232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4435    3.5309    0.0000 C   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
   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
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.3047    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
    7.2746    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    7.5930    4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    4.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7225    2.9615    0.0000 N   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  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  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
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 12  1  0  0  0  0
 30 11  1  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007242-3D
FYIcenter.com

 47 49  0     1  0  0  0  0  0999 V2000
    3.5679   -1.4967   -1.4227 P   0  0  1  0  0  0  0  0  0  0  0  0
    4.4507    1.2395   -0.7907 P   0  0  2  0  0  0  0  0  0  0  0  0
    2.8789    2.6754    1.2518 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2487   -1.1423   -0.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776   -1.2121    2.9429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530   -3.6717    2.4273 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2083   -2.2497   -0.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172   -0.0002   -0.8330 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7167   -2.1486   -0.4887 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8608   -1.5512   -2.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5594    2.4490   -0.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6392    1.6393   -2.3456 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7282    0.9816   -0.0475 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0210    4.0296    1.0451 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498    1.5217    1.3252 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449    2.7017    2.3994 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5251   -0.5026   -0.1923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9251   -0.7792   -1.9064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6242    1.3392    0.9484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6529    2.0242   -0.2225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3963    0.9618   -2.2340 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6002   -1.7904    1.7408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2069   -2.3556    1.9102 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3730   -0.7210    0.6799 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3124   -2.3229    0.4823 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8269   -2.2658    0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5783    4.4343    1.8212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    1.4004    2.1579 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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  2  8  1  0  0  0  0
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 31 41  1  0  0  0  0
M  END
$$$$