Molecule FYI-1015417

A

Molecule Summary:

ID: FYI-1015417
Names:
InChIKey: HDPRPOPCLKQMAX-UHFFFAOYSA-N
SMILES: CCCCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

Received at FYIcenter.com on: 2025-09-01

Molecule ID: FYI-1015417 Edit

Molecule Structure InChIKey: HDPRPOPCLKQMAX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015417
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    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
 10  9  2  0  0  0  0
 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 21  1  0  0  0  0
 24 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015417-3D
FYIcenter.com

 47 48  0  0  1  0  0  0  0  0999 V2000
    0.7928    0.0923    3.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3092    0.0235    3.2867 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9102    1.1602    4.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4339    1.0822    4.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0666    2.2247    4.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5917    2.1144    4.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2014    2.1250    3.6088 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6567    2.0146    3.6858 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1729    0.6352    4.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7531   -0.4841    3.3167 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8096   -0.1458    2.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3955   -1.1308    0.9935 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7744   -0.8717   -0.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6022   -2.1759    1.4053 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0195   -3.1458    0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3749   -3.2796   -0.7886 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7563   -4.2322   -1.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2096   -4.3647   -3.2504 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7769   -5.0708   -1.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4113   -4.9558    0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0392   -4.0021    1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6820   -3.8728    2.3946 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3016    1.2127    1.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2269    2.2731    2.3598 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791   -0.7243    2.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4479    1.0390    2.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942    0.0078    4.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6787    0.0760    2.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6276   -0.9429    3.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5442    1.1042    5.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    2.1252    3.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7834    1.1134    3.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7550    0.1215    4.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6908    2.1963    5.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7676    3.1927    4.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8306    1.1824    5.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9851    2.9428    5.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9898    3.0057    3.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0466    2.7978    4.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8055    0.4374    5.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2686    0.6472    4.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3385   -2.2089    2.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435   -2.6625   -1.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6340   -5.6066    0.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0466   -4.5760    2.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7414    1.2547    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  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
 12 14  1  0  0  0  0
 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
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 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, 583👍, 0💬