Molecule FYI-1010226

A

Molecule Summary:

ID: FYI-1010226
Names:
InChIKey: AZIWAJAFCSUYFG-UHFFFAOYSA-M
SMILES: O=C(Nc2nc(c1ccc[nH]1)cs2)c5ccc4nc(c3cccc(O[Na])c3)sc4c5

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010226 Edit

Molecule Structure InChIKey: AZIWAJAFCSUYFG-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C(Nc2nc(c1ccc[nH]1)cs2)c5ccc4nc(c3cccc(O[Na])c3)sc4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1010226
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    9.4612   10.0532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488    9.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363   10.0532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239    9.3531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450    9.9225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    8.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    9.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158   10.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464    9.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    7.9881    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081    7.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6776    7.9608    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488    7.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    7.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612    7.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612    5.8531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488    5.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5399    3.7838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6322    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6322    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0322    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7322    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1322    1.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8322    2.4249    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
   12.0322    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5016    4.9164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 16  1  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
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 29 22  1  0  0  0  0
 30 21  1  0  0  0  0
 30 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010226-3D
FYIcenter.com

 43 47  0  0  0  0  0  0  0  0999 V2000
    2.4894    0.2788    0.4948 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211    0.0887   -0.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1747    0.5183   -1.3057 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1004    1.2215   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0937    1.7588    0.5564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1028    2.3800    0.8127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980    3.1036    2.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5906    3.7502    2.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4383    4.3139    3.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1670    3.9927    4.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5377    3.2548    3.0976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0321    2.3134   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3462    1.4857   -1.5003 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3410   -0.7035   -1.4771 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3172   -0.7887   -2.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2299   -1.5907   -3.6075 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1679   -2.3259   -2.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546   -3.1938   -3.4459 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8068   -3.8026   -2.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7749   -4.8875   -2.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0164   -5.3152   -4.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9084   -6.3653   -4.3487 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5631   -6.9987   -3.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3287   -6.5830   -1.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9476   -7.1954   -0.9515 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5696   -6.6083    0.9428 Na  0  0  0  0  0  0  0  0  0  0  0  0
    8.4423   -5.5336   -1.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4098   -3.2481   -0.9373 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2157   -2.2283   -1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3407   -1.4265   -0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0091    0.2817   -2.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4753    3.8179    1.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5989   -0.2520   -3.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1859   -1.6559   -4.6870 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0884   -6.6940   -5.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2474   -7.8143   -3.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2714   -5.2357   -0.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4074   -1.4075    0.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 30  2  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
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 17 18  1  0  0  0  0
 17 29  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 20 27  2  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 43  1  0  0  0  0
M  END
$$$$

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