Molecule FYI-1015479

A

Molecule Summary:

ID: FYI-1015479
Names:
InChIKey: ASWYNIZJGDRVOT-UHFFFAOYSA-N
SMILES: CCCCCCNC2CN=C(C(=O)Nc1ccc(O)cc1)C=N2

Received at FYIcenter.com on: 2025-09-04

Molecule ID: FYI-1015479 Edit

Molecule Structure InChIKey: ASWYNIZJGDRVOT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC2CN=C(C(=O)Nc1ccc(O)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015479
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    0.0000    0.0000    0.0000 O   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  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  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  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015479-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    0.7904    3.2646   -0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079    3.2714   -0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9092    4.0934   -1.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4349    4.0746   -1.2972 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0659    4.8600   -2.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5915    4.9325   -2.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2063    3.6047   -2.3242 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605    3.6747   -2.2235 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1933    4.1736   -0.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8197    3.2746    0.2726 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8854    2.0167   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5631    0.9553    0.9679 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9119   -0.1849    0.7007 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8713    1.4108    2.0698 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435    0.6016    3.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6856   -0.7463    3.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0637   -1.5384    4.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0988   -0.9766    5.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4395   -1.7262    5.9722 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7765    0.3708    4.9366 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4079    1.1645    3.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2987    1.5906   -1.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2057    2.3427   -2.5045 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3851    2.6656    0.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358    2.8348   -1.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6320    3.6802    0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487    5.1275   -1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    3.6880   -2.3329 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812    3.0347   -1.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7607    4.5006   -0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6745    5.8856   -2.4443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7792    4.4157   -3.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8299    5.4736   -1.4155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9769    5.5202   -3.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9945    3.1256   -3.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0487    4.3415   -3.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8179    5.1775   -0.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2874    4.2522   -0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6450    2.4024    2.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4419   -1.2195    2.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3421   -2.5842    4.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7301   -2.6498    5.8847 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0207    0.7978    5.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1252    2.2108    3.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7002    0.5682   -1.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
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 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 22 47  1  0  0  0  0
M  END
$$$$

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2025-09-24, 624👍, 0💬