Molecule FYI-1015447

A

Molecule Summary:

ID: FYI-1015447
Names:
InChIKey: YOHMALZDAJCIRZ-UHFFFAOYSA-N
SMILES: CCCCCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015447 Edit

Molecule Structure InChIKey: YOHMALZDAJCIRZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015447
FYIcenter.com

 26 27  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
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    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
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    2.4249    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
    2.4249    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
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  9  1  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015447-3D
FYIcenter.com

 53 54  0  0  1  0  0  0  0  0999 V2000
    0.8821    0.0807   -0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4002    0.0774   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9303   -1.3021    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4546   -1.3133    0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9700   -2.7009    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917   -2.7147    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0259   -4.0995    1.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5494   -4.0552    1.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0878   -5.3509    1.5260 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5466   -5.3264    1.6061 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1206   -4.3846    2.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5944   -4.7275    4.0573 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4949   -6.0192    4.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9665   -6.5911    5.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0991   -7.8012    5.6497 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3767   -5.7020    6.3859 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8456   -6.0389    7.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0837   -7.2771    8.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5193   -7.5928    9.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7107   -6.6612   10.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0085   -7.0628   11.6665 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4763   -5.4147    9.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0509   -5.1052    8.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8252   -3.8829    7.7590 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9454   -6.9872    3.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9993   -6.6953    1.8732 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5142    1.0741   -0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5169   -0.6352   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    0.8215    0.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5850   -2.0437   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5264   -1.5977    1.2234 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8054   -0.5777    1.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2456   -7.9834    3.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 44  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 45  1  0  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  2  0  0  0  0
 25 53  1  0  0  0  0
M  END
$$$$

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2025-11-06, 543👍, 0💬