Molecule FYI-1015418

A

Molecule Summary:

ID: FYI-1015418
Names:
InChIKey: CLGYVRLXFSYBDI-UHFFFAOYSA-N
SMILES: CCCCCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

Received at FYIcenter.com on: 2025-09-01

Molecule ID: FYI-1015418 Edit

Molecule Structure InChIKey: CLGYVRLXFSYBDI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015418
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015418-3D
FYIcenter.com

 50 51  0  0  1  0  0  0  0  0999 V2000
    2.5163    0.6365    0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0227    0.7106    0.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7229   -0.4193    1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2385   -0.3479    1.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9064   -1.4952    1.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4253   -1.4841    1.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0830   -2.6307    2.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5842   -3.9343    1.9569 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2320   -5.0391    2.6517 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8920   -5.1544    4.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763   -5.5078    4.4328 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072   -6.3568    3.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5957   -6.8745    3.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2953   -7.8163    2.9849 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7908   -6.2328    4.6328 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4349   -6.5511    4.8890 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5063   -8.0090    4.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8159   -9.4778    4.1155 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7242   -7.1019    5.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6424   -5.6478    5.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5164   -7.8417    1.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
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  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
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 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 289👍, 0💬