Molecule Editor

Molecule ID: FYI-1017428 Edit

Molecule Structure InChIKey: MWGYDKYSOKEURI-TUUFZWAFSA-L

Molecule Structure SMILES String: Nc4ccc(/N=N/c3c(N)c2c(O)c(/N=N/c1ccc(N)cc1)c(S(=O)(=O)[O-])cc2cc3S(=O)(=O)[O-])cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1017428
FYIcenter.com

 38 41  0  0  0  0  0  0  0  0999 V2000
   10.9118   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   14.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.4876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4497   14.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   15.4000    0.0000 O   0  5  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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 17  1  0  0  0  0
 22 16  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  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 15  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  2  0  0  0  0
 34 31  1  0  0  0  0
 35 11  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  2  0  0  0  0
 38 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017428-3D
FYIcenter.com

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.2368    3.3923   -4.0118 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3002    2.9825   -3.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404    2.1496   -3.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8089    1.8364   -2.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8779    2.3175   -1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9533    2.0479   -0.3184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9000    1.4266   -0.8452 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0922    1.3388   -0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7716    0.1699    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6525   -0.4268    1.4067 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1087    0.0569   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4517   -0.9339   -1.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8610   -0.8129   -1.8551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0531   -2.1387   -0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7304   -2.6860   -0.7599 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7489   -1.9875   -1.0465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6555   -2.2000   -0.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5753   -3.1146    0.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4354   -3.4343    1.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2606   -2.8311    1.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0451   -3.2845    1.8329 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0437    0.4004    0.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4725    1.9463    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0263    2.3350    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 38  2  0  0  0  0
  3  4  2  0  0  0  0
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  4  5  1  0  0  0  0
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  6  7  2  0  0  0  0
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  9 10  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  2  0  0  0  0
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 38 55  1  0  0  0  0
M  END
$$$$