Molecule FYI-1015952

A

Molecule Summary:

ID: FYI-1015952
Names:
InChIKey: KDCZBKCHRQYTPR-UHFFFAOYSA-N
SMILES: O=N(=O)N2C4C1N(N(=O)=O)C3C(N1N(=O)=O)N(=O)(N(=O)=O)C(C2N3N(=O)=O)N4N(=O)=O

Received at FYIcenter.com on: 2025-11-05

Molecule ID: FYI-1015952 Edit

Molecule Structure InChIKey: KDCZBKCHRQYTPR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)N2C4C1N(N(=O)=O)C3C(N1N(=O)=O)N(=O)(N(=O)=O)C(C2N3N(=O)=O)N4N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015952
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.8578    1.3877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2469    2.5851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4783    2.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4045    3.5206    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1730    3.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3306    4.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1806    3.6824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902    4.3119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0902    5.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3122    2.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8120    6.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9436    5.2300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0339    4.6005    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0339    3.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1242    5.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7935    4.7180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9512    5.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5806    6.7438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0685    7.8939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8085    8.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8165    8.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7197    5.3918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1087    6.5890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8773    6.3273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6458    6.0656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663    7.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5435    2.1686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0557    1.0185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3157    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3077    0.8869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  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  2  0  0  0  0
 17 13  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  2  0  0  0  0
 23 18  1  0  0  0  0
 23  6  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  2  0  0  0  0
 28 11  1  0  0  0  0
 28  5  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015952-3D
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    1.7938   -1.0361    0.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3940   -0.0032    0.3349 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1591    0.7849    1.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4663    0.3229   -0.4533 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5689    1.7234   -0.8592 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2059    2.1544   -0.9041 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0602    1.0100   -0.5486 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2940    1.3266   -0.0092 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3292    2.3542    0.6810 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2269    0.5891   -0.2823 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0833    0.1724   -1.7797 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7908    1.2127   -2.9437 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6495    2.4861   -2.2461 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6816    3.3744   -2.4104 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4785    3.1423   -3.3053 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6718    4.3361   -1.6356 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5710    0.8531   -3.7704 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8306   -0.2547   -4.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1015    2.0684   -4.6764 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3418    3.2197   -4.2703 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4050    1.8050   -5.6540 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3893    0.5490   -2.8592 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7148   -0.4541   -1.6863 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1028   -0.9186   -1.6556 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3689   -1.8741   -0.6778 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4926   -1.8638   -0.1805 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374   -2.6156   -0.3735 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8994    1.7538   -2.1715 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    1.8655   -2.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162    2.4277   -1.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9516    1.3937   -3.1567 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1362    2.4449   -0.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2660    2.9919   -0.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0583   -0.2761   -2.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6020    1.1415   -3.6808 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854    0.0550   -3.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0387   -1.3081   -1.8241 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
M  END
$$$$

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2025-11-06, 954👍, 0💬