Molecule FYI-1015682

A

Molecule Summary:

ID: FYI-1015682
Names:
InChIKey: SHHZROJTGKUCPF-UHFFFAOYSA-N
SMILES: CN(CCN(C)C(=N)NC(=N)N)C(=N)NC(=N)N.Cl

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

Molecule ID: FYI-1015682 Edit

Molecule Structure InChIKey: SHHZROJTGKUCPF-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1015682
FYIcenter.com

 19 17  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
    3.5000   12.1243    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
    0.0000    8.4870    0.0000 C   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
    3.5000    4.8498    0.0000 C   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
    6.0200    6.6684    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  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  6  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 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 12  2  0  0  0  0
 18  5  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015682-3D
FYIcenter.com

 40 38  0  0  0  0  0  0  0  0999 V2000
    1.0034    0.2578    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4689    0.2256    0.2618 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -0.3512    1.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4615   -0.9733    2.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6118   -0.0790    3.3414 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5591    1.3669    3.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7921   -0.6643    4.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8519   -1.9286    4.6236 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1092    0.1597    5.1471 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0101   -0.2398    6.1991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1328   -1.4513    6.6244 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8137    0.7566    6.8100 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1782    0.7848   -0.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4701    0.7524   -0.9250 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4578    1.3856   -1.9621 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0642    1.9566   -3.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3432    1.9722   -3.2713 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2376    2.5174   -4.1332 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -1.5283   -3.0187 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5308   -0.2133    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.2893   -0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515    1.3102    0.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9435    0.4131    1.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717   -1.1776    0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -1.4455    3.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8386   -1.7810    2.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318    1.7302    2.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8512    1.9089    4.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5288    1.6625    2.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561   -2.6017    4.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1433    1.1629    4.9273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307   -2.2762    6.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582    1.7392    6.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4677    0.5074    7.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0821    0.3469   -0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4315    1.4156   -1.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7901    2.3824   -4.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2123    2.5128   -4.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6478    2.9382   -4.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183   -1.6538   -2.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$

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2025-10-24, 644👍, 0💬