Molecule FYI-1016704

A

Molecule Summary:

ID: FYI-1016704
Names:
InChIKey: JWIUHHJKGXHQDJ-YACWIASPSA-N
SMILES: CC(=O)N[C@H]3CO[C@H](CO[C@H](OC2=NC1C(N)=NC=NC1=N2)C(=O)O)[C@@H](F)[C@@H]3O

Received at FYIcenter.com on: 2026-02-25

Molecule ID: FYI-1016704 Edit

Molecule Structure InChIKey: JWIUHHJKGXHQDJ-YACWIASPSA-N

Molecule Structure SMILES String: CC(=O)N[C@H]3CO[C@H](CO[C@H](OC2=NC1C(N)=NC=NC1=N2)C(=O)O)[C@@H](F)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016704
FYIcenter.com

 29 31  0  0  1  0  0  0  0  0999 V2000
   13.4034    3.6306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    4.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7401    7.0959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4401    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7401    4.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6401    8.3083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2708    5.5923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    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  4  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  2  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 20 21  1  1  0  0  0
 19 22  1  6  0  0  0
 18 23  1  1  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016704-3D
FYIcenter.com

 48 50  0  0  1  0  0  0  0  0999 V2000
    5.9330    3.5996   -9.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151    2.4364   -8.6454 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2591    1.2712   -8.9882 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0438    2.8109   -7.4806 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4921    1.8256   -6.4851 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6514    0.9357   -6.9756 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1482    0.0631   -5.9418 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6459    0.7906   -4.8039 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2885   -0.1640   -3.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2905   -1.0567   -4.2548 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5992   -0.5797   -4.5665 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4236   -0.1424   -3.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7714   -0.1952   -3.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7230    0.2729   -2.9439 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9512    0.0134   -3.7728 C   0  0  3  0  0  0  0  0  0  0  0  0
   18.1772   -0.5653   -3.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9958    0.1933   -2.3194 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6369   -1.7466   -3.4394 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0756   -2.4374   -4.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0840   -2.0369   -5.2116 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4059   -0.9917   -4.7102 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1283   -0.9392   -4.8057 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6916    0.4404   -5.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7921    1.6526   -5.5929 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6526   -0.1254   -6.9705 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4876    1.5682   -4.1710 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.9456    2.2612   -3.0934 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9116    2.5535   -5.1946 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7868    3.2843   -4.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5163    3.2285  -10.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7680    4.2676   -9.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1552    4.1476   -8.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8611    3.7475   -7.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6210    1.1920   -6.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4805    1.5477   -7.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3237    0.3007   -7.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4024    1.4949   -5.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6720    0.3803   -2.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4954   -0.8273   -3.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0415   -1.5102   -4.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2200    0.9447   -4.2904 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0057    1.1936   -2.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9402   -0.1887   -2.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5515   -3.3975   -4.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6338   -1.1030   -6.9504 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948    0.8964   -3.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6714    3.3105   -5.4241 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1503    2.6525   -4.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5  4  1  0  0  0  0
  5 34  1  1  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  8 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  6  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 11 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 10  1  0  0  0  0
 11 40  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 46  1  1  0  0  0
 28 29  1  0  0  0  0
 28 47  1  6  0  0  0
 29 48  1  0  0  0  0
M  END
$$$$

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2026-03-22, 593👍, 0💬