Molecule FYI-1015415

A

Molecule Summary:

ID: FYI-1015415
Names:
InChIKey: AANOUQXJUQHRJE-UHFFFAOYSA-N
SMILES: CCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

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

Molecule ID: FYI-1015415 Edit

Molecule Structure InChIKey: AANOUQXJUQHRJE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCNC2CN=C(C(=O)Nc1cc(Cl)ccc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015415
FYIcenter.com

 22 23  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
   14.5492    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
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    7.2747    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  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
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015415-3D
FYIcenter.com

 41 42  0  0  1  0  0  0  0  0999 V2000
    0.7717   -1.7323    1.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -1.7989    1.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179   -2.0567    0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -2.1338    0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0528   -2.4236   -1.1465 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5079   -2.5096   -1.0498 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0382   -3.6833   -0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5521   -5.0029   -0.6556 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5355   -5.0535   -1.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0758   -6.3108   -2.6599 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951   -6.3565   -3.8671 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4562   -7.2627   -1.8830 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0062   -8.5283   -2.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3372   -9.0340   -3.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653  -10.2772   -4.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2923  -10.8699   -5.5724 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0584  -11.0421   -3.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7270  -10.5608   -1.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2088   -9.3132   -1.4927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8849   -8.8340   -0.2501 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223   -3.8932   -2.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0350   -2.6626   -2.4092 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -1.5400    2.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3585   -2.6761    0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5712   -2.5960    2.0748 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675   -0.8578    1.7907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383   -1.2576   -0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5321   -2.9985   -0.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688   -2.9262    0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8220   -1.1879    0.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433   -1.6756   -1.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9106   -1.5696   -0.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7304   -3.5537    0.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1362   -3.6885   -0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2532   -7.0220   -0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763   -8.4874   -4.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6921  -12.0090   -3.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0942  -11.1683   -1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3249   -9.4879    0.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3854   -4.1624   -3.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 362👍, 0💬