Molecule FYI-1015386

A

Molecule Summary:

ID: FYI-1015386
Names:
InChIKey: KUEUWHJGRZKESU-UHFFFAOYSA-N
SMILES: O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4

Received at FYIcenter.com on: 2025-08-25

Molecule ID: FYI-1015386 Edit

Molecule Structure InChIKey: KUEUWHJGRZKESU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OCC(COC(=O)c1cccnc1)(COC(=O)c2cccnc2)COC(=O)c3cccnc3)c4cccnc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015386
FYIcenter.com

 41 44  0  0  0  0  0  0  0  0999 V2000
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   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  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  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
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  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 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 11  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 41 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015386-3D
FYIcenter.com

 65 68  0  0  0  0  0  0  0  0999 V2000
    6.3804    0.5427    0.3304 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487   -0.0873    1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7265   -1.0126    0.7031 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.0635   -0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8141   -2.3716   -1.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2318   -3.6030   -0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920   -3.5944   -0.6753 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1963   -4.6911   -1.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7515   -5.6190   -1.7695 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305   -4.6202   -1.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0708   -3.5852   -0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3205   -3.6145   -0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9993   -4.6773   -0.8528 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917   -5.6958   -1.4962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0386   -5.6460   -1.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2493   -2.3676   -2.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7621   -1.2618   -3.6175 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4339   -1.5740   -4.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6893   -2.7026   -5.1499 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8447   -0.3560   -5.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5713    0.9423   -5.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0165    2.0269   -5.7956 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7171    1.7752   -6.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9915    0.5353   -7.4215 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5488   -0.5031   -6.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3594   -2.4735   -1.4829 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941   -2.5294   -0.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1817   -3.7586    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8465   -4.8239   -0.1466 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7502   -3.6346    1.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6890   -2.6604    2.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2431   -2.6744    3.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8186   -3.6470    4.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8822   -4.5789    3.9038 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3753   -4.5603    2.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5947    0.1403    2.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7467   -0.5653    3.4004 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7039   -0.2283    4.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5193    0.7958    5.2078 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3592    1.4889    4.4093 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3757    1.1496    3.0943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7684   -0.1846   -1.2300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2933   -0.9764   -0.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5285   -3.6175    0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6220   -4.5153   -1.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6204   -2.7641    0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8612   -2.8243    0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0839   -4.7405   -0.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4170   -6.4848   -2.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1601   -2.2459   -2.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4479   -3.3329   -3.3326 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0224    1.1226   -4.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8237    3.0461   -5.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0876    2.5892   -7.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7895   -1.4865   -7.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690   -1.5850   -1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6710   -3.3291   -2.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101   -1.9195    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0024   -1.9549    3.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2397   -3.7096    5.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6383   -5.3321    2.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1061   -1.3583    3.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -0.7503    5.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5155    1.0954    6.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    1.7480    2.4834 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  2  0  0  0  0
 13 48  1  0  0  0  0
 14 15  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  2  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  2  0  0  0  0
 31 32  2  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 59  1  0  0  0  0
 33 34  2  0  0  0  0
 33 60  1  0  0  0  0
 34 35  1  0  0  0  0
 35 61  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  2  0  0  0  0
 37 38  2  0  0  0  0
 37 62  1  0  0  0  0
 38 39  1  0  0  0  0
 38 63  1  0  0  0  0
 39 40  2  0  0  0  0
 39 64  1  0  0  0  0
 40 41  1  0  0  0  0
 41 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 627👍, 0💬