Molecule FYI-1002469

A

Molecule Summary:

ID: FYI-1002469
Names:
InChIKey: DGTBBQJVCHUZPC-UHFFFAOYSA-N
SMILES: COCCCCCCN(Cc1ccccc1O)c2ncnc3[nH]cnc23

Received at FYIcenter.com on: 2023-04-02

Molecule ID: FYI-1002469 Edit

Molecule Structure InChIKey: DGTBBQJVCHUZPC-UHFFFAOYSA-N

Molecule Structure SMILES String: COCCCCCCN(Cc1ccccc1O)c2ncnc3[nH]cnc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1002469
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    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
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1556    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3326    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1556    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.3000    0.0000 O   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
   14.5493    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    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
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  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
 14 13  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
 17  9  1  0  0  0  0
 17 13  2  0  0  0  0
 18  8  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 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
 26  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002469-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    4.8341   -1.5329    3.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1977   -1.1469    3.5467 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6176   -0.4234    4.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0415    0.0832    4.4763 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0740    1.0400    3.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4647    1.5899    2.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4632    2.4300    1.6987 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809    3.7627    1.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0943    4.6362    2.8590 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1181    5.5862    3.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0264    6.9009    2.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8971    7.9691    2.9546 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8526    9.1640    2.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9267    9.3251    1.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0346    8.2923    0.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0937    7.0928    1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2146    6.0887    1.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4394    4.9843    2.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2561    4.8432    1.8506 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5790    5.0708    1.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2622    5.4434    3.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4297    5.5855    4.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7715    5.9270    5.3781 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6365    5.9395    6.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5817    5.6263    5.4196 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0581    5.3940    4.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5734   -2.0473    2.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1894   -0.6549    3.7256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795   -2.2178    4.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5859   -1.0858    5.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9455    0.4242    4.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7062   -0.7691    4.2797 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4018    0.5882    5.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3852    1.8669    3.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7112    0.5163    2.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1605    0.7516    2.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    2.1674    3.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0433    1.8279    0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5047    2.6034    1.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6162    3.5210    1.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7723    4.2856    0.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3223    5.8018    4.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1272    5.1147    3.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6137    7.8706    3.7643 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5434    9.9665    2.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8985   10.2492    0.6351 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2942    8.4391    0.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9832    6.1656    0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1640    4.9158    1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7128    6.1106    5.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6384    6.1739    7.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  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
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  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  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  2  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  2  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 1921👍, 0💬