Molecule FYI-1015473

A

Molecule Summary:

ID: FYI-1015473
Names:
InChIKey: IOOOPHVOSUZGRA-UHFFFAOYSA-N
SMILES: CCCCCCCNC2CN=C(C(=O)Nc1ccc(C)cc1)C=N2

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

Molecule ID: FYI-1015473 Edit

Molecule Structure InChIKey: IOOOPHVOSUZGRA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCNC2CN=C(C(=O)Nc1ccc(C)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015473
FYIcenter.com

 24 25  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
   19.3989    4.2000    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
    8.4871    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
    8.4871    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 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  8  1  1  0  0  0  0
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 11 10  2  0  0  0  0
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 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015473-3D
FYIcenter.com

 52 53  0  0  1  0  0  0  0  0999 V2000
    6.3599    5.8595    0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649    4.3558    0.4049 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0621    4.0102   -0.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1638    2.4979   -1.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7597    2.1581   -2.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    0.6454   -2.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4817    0.3442   -4.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6391   -1.0952   -4.2531 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2183   -1.4190   -5.5536 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6787   -0.9189   -5.7615 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6225   -1.4986   -4.7724 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3513   -2.7495   -4.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2363   -3.5178   -3.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0636   -4.7285   -3.5186 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276   -2.7494   -2.8397 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0332   -3.2452   -1.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3355   -4.6043   -1.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1824   -5.0681   -0.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7530   -4.1774    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6117   -4.6837    1.2802 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4876   -2.8094    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6443   -2.3448   -1.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2044   -3.4696   -5.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1690    2.0456   -1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8659    0.1948   -2.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
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   13.9314   -5.3440   -2.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4471   -1.2781   -1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2955   -4.5648   -5.2405 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 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  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 44  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 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  2  0  0  0  0
 23 52  1  0  0  0  0
M  END
$$$$

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2025-11-06, 691👍, 0💬