Molecule FYI-1015475

A

Molecule Summary:

ID: FYI-1015475
Names:
InChIKey: FPCOFHIUFUFDMW-UHFFFAOYSA-N
SMILES: CCCCCCCCNC2CN=C(C(=O)Nc1ccc(C)cc1)C=N2

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

Molecule ID: FYI-1015475 Edit

Molecule Structure InChIKey: FPCOFHIUFUFDMW-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCNC2CN=C(C(=O)Nc1ccc(C)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015475
FYIcenter.com

 25 26  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 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
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  5  4  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  1  1  0  0  0  0
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 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 18 16  1  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
 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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015475-3D
FYIcenter.com

 55 56  0  0  1  0  0  0  0  0999 V2000
    0.8063   -0.1881    9.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216   -0.2360    9.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8853   -0.9729    8.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4074   -1.0225    8.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579   -1.7597    6.8747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4773   -1.8055    6.9195 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0318   -2.5375    5.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5498   -2.5776    5.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1044   -3.3106    4.6532 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5614   -3.3671    4.7255 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.1109   -4.1488    5.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6405   -5.5602    5.9841 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6216   -6.0708    4.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1845   -7.4991    4.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3543   -7.9399    3.4502 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6194   -8.1430    5.6662 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1368   -9.4723    5.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4975  -10.3582    4.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9365  -11.6302    4.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074  -12.0576    5.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3647  -13.4046    5.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6818  -11.1997    6.5250 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2530   -9.9181    6.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0709   -5.2851    3.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0613   -3.9900    3.4998 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4098    0.3429   10.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3837   -1.1976    9.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4664    0.3328    8.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359   -0.7373   10.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182    0.7854    9.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5659   -0.4719    7.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860   -1.9940    8.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7322   -1.5270    9.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8129   -0.0037    8.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6313   -1.2583    5.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5588   -2.7811    6.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8034   -2.3104    7.8377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8800   -0.7854    6.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9694   -2.3495    4.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8069   -3.6624    6.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2074   -4.1414    5.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4444   -7.5702    6.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5460  -14.0102    6.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9619  -11.5184    7.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9599   -9.2733    7.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4266   -5.8887    2.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  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
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  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
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 44  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  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 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
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 19 20  1  0  0  0  0
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 22 53  1  0  0  0  0
 23 54  1  0  0  0  0
 24 25  2  0  0  0  0
 24 55  1  0  0  0  0
M  END
$$$$

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2025-11-06, 1036👍, 0💬