Molecule FYI-1015486

A

Molecule Summary:

ID: FYI-1015486
Names:
InChIKey: LWPWXBLCKJKSCL-UHFFFAOYSA-N
SMILES: CCCCCCNC2CN=C(C(=O)Nc1cccc(O)c1)C=N2

Received at FYIcenter.com on: 2025-09-05

Molecule ID: FYI-1015486 Edit

Molecule Structure InChIKey: LWPWXBLCKJKSCL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC2CN=C(C(=O)Nc1cccc(O)c1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015486
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
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    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    2.8000    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
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 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 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015486-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    1.2119    4.9794   -1.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213    4.8285   -1.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1214    3.5975   -2.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6338    3.4464   -2.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0834    2.2226   -3.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6133    2.1609   -3.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1640    1.0166   -3.9795 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6329    1.0130   -3.9767 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3455    0.8727   -2.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0202   -0.4014   -1.9025 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9043   -1.3891   -2.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869   -2.7515   -2.2376 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4412   -3.6362   -3.0875 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1494   -2.8398   -0.9008 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6223   -4.0056   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7757   -5.2736   -0.8639 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1768   -6.4003   -0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4124   -6.2772    0.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2813   -5.0273    1.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5221   -4.8664    2.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9051   -3.8938    0.9006 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1754   -1.2141   -4.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0723   -0.0865   -4.8477 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281    5.8648   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453    4.1039   -1.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1017    4.7445   -0.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1696    5.7290   -2.1116 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6704    2.7009   -2.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0092    3.3630   -1.4877 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0835    4.3501   -2.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7250    2.2964   -4.3545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6485    1.3126   -2.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8871    2.0918   -2.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0132    3.1016   -3.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777    1.0541   -4.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9957    1.9391   -4.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0679    1.7007   -1.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4346    0.9336   -2.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1371   -1.9619   -0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0922   -5.7150    2.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7602   -2.9386    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4856   -2.1237   -4.7578 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
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 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  2  0  0  0  0
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 19 20  1  0  0  0  0
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 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, 1179👍, 0💬