Molecule FYI-1003887

A

Molecule Summary:

ID: FYI-1003887
Names:
InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N
SMILES: Nc1nc(F)nc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O

Received at FYIcenter.com on: 2023-08-04

Molecule ID: FYI-1003887 Edit

Molecule Structure InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N

Molecule Structure SMILES String: Nc1nc(F)nc2c1ncn2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003887
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
   13.0852    2.9614    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8063    3.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6737    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3946    3.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    2.2371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    4.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    3.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557    4.2416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    1.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1579    1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5272    1.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2483    4.6697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3809    5.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2346    6.8851    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    4.9233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  6  0  0  0
  7  6  1  0  0  0  0
  7  8  1  6  0  0  0
  9  7  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
 11 12  1  6  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 14  1  0  0  0  0
 17 14  2  0  0  0  0
 18 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19  5  1  0  0  0  0
 20 19  2  0  0  0  0
 20  3  1  0  0  0  0
 21  4  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003887-3D
FYIcenter.com

 37 39  0     1  0  0  0  0  0999 V2000
    3.4324    1.9535    0.2623 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683    3.0519   -0.5428 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7516   -1.3146    1.0400 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0712   -1.7313   -1.8849 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8932   -4.0849    0.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8122    0.5343    0.7344 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    2.4278   -0.9265 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7765    1.5169   -0.5236 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381    2.9528    1.3630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5426   -1.3887    0.4094 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7398   -0.9805    0.4555 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223    0.8453   -0.0831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5554    2.4424   -0.2942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8484    1.8080   -0.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2348   -2.6791   -0.8379 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7099   -2.8411   -0.5317 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2920   -2.1348    0.4866 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0057   -1.6945    0.4373 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5873   -0.4643   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -0.0517    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8056   -1.8996    0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575    0.1793    0.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4807    1.4836   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529    2.0691   -0.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2737   -3.6062   -1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3521   -2.8319   -1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4529   -2.9527    1.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6647   -2.0073    1.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957   -0.0674   -0.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5332   -0.7179   -0.7337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4780   -2.1071   -2.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8358   -4.1549    0.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9781   -2.9451    0.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5409    1.0944    0.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1308    2.7630   -0.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5780    3.3113   -1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3915    2.2143   -0.8358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2 24  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4 15  1  0  0  0  0
  4 31  1  0  0  0  0
  5 16  1  0  0  0  0
  5 32  1  0  0  0  0
  6 19  1  0  0  0  0
  7 36  1  0  0  0  0
  8 37  1  0  0  0  0
 10 17  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 21  2  0  0  0  0
 11 22  1  0  0  0  0
 12 20  2  0  0  0  0
 12 24  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  2  0  0  0  0
 14 23  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 16 18  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1822👍, 0💬