Molecule FYI-1016462

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A

Molecule Summary:

ID: FYI-1016462
Names:
InChIKey: BIGPXXAUSQLTQR-UHFFFAOYSA-N
SMILES: N#Cc3nc2c(=O)c1cc(Cl)ccc1c2nc3C#N

Received at FYIcenter.com on: 2026-01-09

Molecule ID: FYI-1016462 Edit

Molecule Structure InChIKey: BIGPXXAUSQLTQR-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3nc2c(=O)c1cc(Cl)ccc1c2nc3C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1016462
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    2.3062    8.9102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2430    7.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    6.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    6.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    7.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    8.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6596    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2946    4.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0822    4.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    2.9540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    3.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8797    5.0348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104    5.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6818    3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0513    3.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8083    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2409    0.0000    0.0000 N   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  6  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  3  1  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  3  0  0  0  0
 18 12  1  0  0  0  0
 19 18  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016462-3D
FYIcenter.com

 22 24  0     0  0  0  0  0  0999 V2000
   -5.8359    0.2346    0.0010 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0501   -2.8850   -0.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0336    1.3390   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5794   -1.4800   -0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589    2.6238   -0.0007 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9575   -1.5165    0.0022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500    0.6096   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771   -0.6523   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0754    0.4097   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3602   -0.9444   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090   -1.6827   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1145    1.7603    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3471   -0.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5081    1.6230    0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1166    0.3515    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2902    0.8272    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550   -0.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3198    1.8169   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8784   -1.0791    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600    2.7451    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7984   -1.7985   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1212    2.5218    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3  9  2  0  0  0  0
  3 16  1  0  0  0  0
  4 10  2  0  0  0  0
  4 17  1  0  0  0  0
  5 18  3  0  0  0  0
  6 19  3  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  END
$$$$

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2026-02-02, 711👍, 0💬