Molecule Editor

Molecule ID: FYI-1007536 Edit

Molecule Structure InChIKey: HCAVFJHOIZFCBQ-XLPZGREQSA-N

Molecule Structure SMILES String: N#N=NCO[C@H]3C[C@H](n2cnc1c(N)ncnc12)O[C@@H]3COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007536
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
    7.0293    4.8166    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.2176    4.8166    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    4.8166    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.0371    4.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6234    4.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4352    4.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8117    4.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8715    0.7029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0293    6.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0293    3.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2176    6.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2176    3.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    6.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4059    3.4108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1195    4.7659    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2179    6.8684    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5534    5.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8259    7.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8719    9.2039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4364    0.7029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0305    0.7029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6247    0.7029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1195    3.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1493    5.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5834    7.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8411    3.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2354    2.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6337    2.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9020    5.4689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4217    8.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8411    4.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3917    6.6916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  2  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 13  2  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 24  1  0  0  0  0
  4 27  1  0  0  0  0
  6 32  1  0  0  0  0
 28  8  1  6  0  0  0
  8 34  1  0  0  0  0
 24 16  1  1  0  0  0
 16 25  1  0  0  0  0
 16 30  1  0  0  0  0
 17 26  1  0  0  0  0
 17 30  2  0  0  0  0
 18 25  1  0  0  0  0
 18 33  2  0  0  0  0
 19 31  2  0  0  0  0
 19 33  1  0  0  0  0
 20 31  1  0  0  0  0
 21 22  2  0  0  0  0
 21 34  1  0  0  0  0
 22 23  3  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 32  1  1  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007536-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    2.8971    0.4698   -5.2337 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918    0.1850   -5.1012 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1792   -0.1467   -4.9649 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6920   -0.0260   -3.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7018    1.3019   -3.0683 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2306    1.3729   -1.7468 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6938    0.9951   -1.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1874    1.7235   -0.4469 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0874    0.9781    0.7954 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4667    1.4076    1.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6040    0.5593    2.9368 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3763   -0.4575    2.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8812   -1.6349    2.9929 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6784   -1.9657    4.3259 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5832   -2.4836    2.2117 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7986   -2.1360    0.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3907   -1.0224    0.2711 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6757   -0.2273    1.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3826    2.9172   -0.3339 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2363    2.8139   -1.2126 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9456    3.1300   -0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9088    4.4781    0.0327 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7431    4.8286    1.0827 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.4287    4.1930    0.7632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3700    4.2974    2.4598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6796    6.4017    1.2581 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8298    7.4918    1.2563 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.0217    7.1446    0.4411 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0162    8.7745    0.7485 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0985    7.8012    2.7916 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4106    8.5024    3.3450 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.7432    9.8719    2.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2222    8.3486    4.9285 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5842    7.4345    3.1529 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7174   -0.4076   -3.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1184   -0.6790   -2.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417    0.7254   -1.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2119    1.3691   -2.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8428   -0.0869   -1.6591 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2395    2.0129   -0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9385    2.3507    2.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8945   -1.4821    4.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7782   -2.9573    4.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3721   -2.8524    0.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3765    3.5482   -2.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737    2.4714    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0748    2.9694   -1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082    4.5216    2.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1512    8.8971    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0828    7.4200    5.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4543    7.8556    3.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6  5  1  0  0  0  0
  6 37  1  1  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  6  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  6  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 33 50  1  0  0  0  0
 34 51  1  0  0  0  0
M  END
$$$$