Molecule FYI-1013912

A

Molecule Summary:

ID: FYI-1013912
Names:
InChIKey: UTEGVFKCWPKQKM-UHFFFAOYSA-N
SMILES: CN(Cc1nnc2ccccn12)C(=O)c3ccnc4ccccc34

Received at FYIcenter.com on: 2025-02-12

Molecule ID: FYI-1013912 Edit

Molecule Structure InChIKey: UTEGVFKCWPKQKM-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(Cc1nnc2ccccn12)C(=O)c3ccnc4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013912
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    2.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7905    2.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8598    4.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    5.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3557    6.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9863    6.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  4  1  0  0  0  0
 12  7  1  0  0  0  0
 13  2  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24 15  1  0  0  0  0
 24 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013912-3D
FYIcenter.com

 39 42  0     0  0  0  0  0  0999 V2000
   -3.2196   -1.8920    0.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1665   -2.4671   -0.2025 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119   -0.6163   -0.5362 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3418   -1.8500    1.1502 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274   -1.1077    1.5714 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0221    2.3968   -1.3428 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200   -2.1070   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1079   -1.5451   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1285   -0.2028   -0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -1.5853    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5389    0.8128    0.4078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265   -0.3693    0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2230   -3.8468    0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5068    2.1161   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1640    0.0025   -1.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6601    0.0834   -1.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757    0.5768    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9915    0.5556    1.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1553    0.8957   -1.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0337    1.1843   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9211    3.1247    0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5819    1.3880   -2.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118    1.5834    2.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768    2.8694    1.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913   -2.9982   -1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2716   -1.3899   -1.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459   -4.5086   -0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3368   -4.0645    0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1141   -4.0321    0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4847   -0.2520   -2.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1224   -0.6804   -2.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345    0.7984    1.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0121   -0.4374    2.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3216    1.4075   -2.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8256    1.9095   -0.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8807    4.1407    0.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9802    1.6710   -3.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    1.3811    3.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738    3.6771    2.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3  8  1  0  0  0  0
  3 12  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5 12  2  0  0  0  0
  6 14  1  0  0  0  0
  6 22  2  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 11 14  1  0  0  0  0
 11 18  2  0  0  0  0
 12 17  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 21  2  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  2  0  0  0  0
 17 32  1  0  0  0  0
 18 23  1  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 35  1  0  0  0  0
 21 24  1  0  0  0  0
 21 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1258👍, 0💬