Molecule FYI-1014244

A

Molecule Summary:

ID: FYI-1014244
Names:
InChIKey: BPZXYEUJBFHASJ-UUOKFMHZSA-N
SMILES: Nc3nc(=S)c2ncn([C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)c2[nH]3

Received at FYIcenter.com on: 2025-03-17

Molecule ID: FYI-1014244 Edit

Molecule Structure InChIKey: BPZXYEUJBFHASJ-UUOKFMHZSA-N

Molecule Structure SMILES String: Nc3nc(=S)c2ncn([C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)c2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014244
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
   11.8485    4.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7159    4.9388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8622    6.3313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7296    7.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8759    8.5465    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507    6.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    7.1540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2349    6.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    4.9013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3656    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    3.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2389    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    2.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3043    5.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4370    4.3694    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  2  0  0  0  0
  6  4  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  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 12  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21 10  1  0  0  0  0
 21 22  1  6  0  0  0
 23  9  1  0  0  0  0
 23  6  2  0  0  0  0
 24 23  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014244-3D
FYIcenter.com

 38 40  0     1  0  0  0  0  0999 V2000
   -4.4001    3.3676   -0.4837 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.7741    1.5025    0.1271 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100   -0.7588    1.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -2.7866   -1.3284 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3496   -3.7224    0.3247 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523    0.3665    0.6628 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    2.1925   -1.0968 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9186    0.6368   -0.6184 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781    2.4479    1.1780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8510    0.0201    0.1478 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3981    2.1401   -0.2818 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0698   -0.9399    0.3874 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8059    0.7454    0.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3400   -1.4854    0.5430 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3994   -1.8805   -0.8934 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6755   -2.5672   -0.4481 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0129   -1.1544    0.3780 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3036   -1.5229    0.4694 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2304   -0.5660   -0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    0.0708    0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066    1.2886   -0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5355    1.3924   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8876    1.7173   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3467   -0.5043    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6095   -1.1745   -1.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3091   -2.8884   -1.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5625   -1.8050    1.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8331   -1.9762    1.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6851   -0.0175   -1.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0518   -1.1200   -0.7321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354   -3.4397   -0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1864   -4.1107    0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6439    1.5353   -0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774    3.9034   -0.6172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3697    2.9699   -1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7158    1.0964   -0.9578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0625   -2.4379    0.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3150   -1.2223    0.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  1 34  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  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 35  1  0  0  0  0
  8 36  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  1  0  0  0  0
 12 24  2  0  0  0  0
 13 23  2  0  0  0  0
 13 24  1  0  0  0  0
 14 24  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  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  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

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2025-04-11, 954👍, 0💬