Molecule FYI-1015681

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Molecule Summary:

ID: FYI-1015681
Names:
InChIKey: LMILMKRNNKCDDW-UHFFFAOYSA-N
SMILES: N=C(N)NC(=N)NCCNC(=N)NC(=N)N.Cl

Received at FYIcenter.com on: 2025-09-26

Molecule ID: FYI-1015681 Edit

Molecule Structure InChIKey: LMILMKRNNKCDDW-UHFFFAOYSA-N

Molecule Structure SMILES String: N=C(N)NC(=N)NCCNC(=N)NC(=N)N.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1015681
FYIcenter.com

 17 15  0  0  0  0  0  0  0  0999 V2000
    1.4000   13.3367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   12.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   10.9119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    8.4870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.8498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    9.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   12.1243    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0200    6.6684    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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  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 11  2  0  0  0  0
 14  9  2  0  0  0  0
 15  4  2  0  0  0  0
 16  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015681-3D
FYIcenter.com

 34 32  0  0  0  0  0  0  0  0999 V2000
    4.0821   -1.9279    0.3243 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3044   -1.5429    0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3402   -2.4793    0.5593 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711   -0.1989   -0.0445 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8219    0.9257   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5364    0.8415   -0.4147 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4091    2.2052   -0.6081 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8408    2.4172   -0.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2301    3.8625   -0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6601    4.0468   -0.6523 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3219    5.2950   -0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    6.2206   -1.5628 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6106    5.4925   -0.2682 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4380    6.6700   -0.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1630    7.7228   -0.9827 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6198    6.6826    0.4931 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5428    1.8820    1.2592 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8272   -2.8978    0.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1185   -3.4561    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289   -2.1905    0.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6853   -0.0337   -0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9821   -0.0030   -0.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7892    3.0005   -0.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3501    1.7627   -1.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1831    2.1710    0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6936    4.5515   -0.1534 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9383    4.0850   -1.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2134    3.2700   -0.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456    6.1139   -2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9619    4.7103    0.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3524    7.8514   -1.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8762    5.8718    1.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2276    7.5149    0.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6305    1.1231    1.6228 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 1019👍, 0💬