Molecule FYI-1015445

A

Molecule Summary:

ID: FYI-1015445
Names:
InChIKey: PSDJXTGHGWBSGF-UHFFFAOYSA-N
SMILES: CCCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

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

Molecule ID: FYI-1015445 Edit

Molecule Structure InChIKey: PSDJXTGHGWBSGF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015445
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
   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
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    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
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 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
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 15 14  2  0  0  0  0
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 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
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 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015445-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    0.9355   -0.6540    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516   -0.7280    0.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978   -1.5786   -0.6072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5196   -1.6509   -0.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0739   -2.4976   -1.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950   -2.5479   -1.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1511   -3.3658   -2.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6135   -3.4246   -2.6178 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1738   -4.0550   -1.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6864   -5.4441   -1.1088 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6219   -6.0872   -2.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1233   -7.5067   -2.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2140   -8.0696   -3.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6088   -8.0107   -1.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1306   -9.3330   -0.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4222  -10.3327   -1.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9591  -11.6337   -1.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2000  -11.9547   -0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6608  -13.5727   -0.3704 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8874  -10.9774    0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3567   -9.6711    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0374   -8.6979    1.0951 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5943   -9.1151    1.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4046   -6.1813   -4.3193 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
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 42  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 43  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

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2025-11-06, 571👍, 0💬