Molecule Editor

Molecule ID: FYI-1003619 Edit

Molecule Structure InChIKey: MEFKEPWMEQBLKI-TYYLHDHTSA-N

Molecule Structure SMILES String: C[S@+](CC[C@H](N)C(=O)[O-])C[C@H]3O[C@@H](n2cnc1c(N)ncnc12)[C@H](O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003619
FYIcenter.com

 27 29  0  0  1  0  0  0  0  0999 V2000
    6.0330    6.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2454    8.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    7.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6702    8.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    7.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    8.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    6.1871    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6702    9.6871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    8.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    7.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    8.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    7.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    5.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    6.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    4.6247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1534    4.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0071    2.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2862    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922    3.1213    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0250    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    0.7494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7188    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7819    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    9.5260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  2  0  0  0  0
  8  6  1  0  0  0  0
  5  9  1  6  0  0  0
 10  2  1  0  0  0  0
 11 10  1  1  0  0  0
 12 11  1  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
 15 11  1  0  0  0  0
 14 16  1  1  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 16  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 13 26  1  6  0  0  0
 12 27  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003619-3D
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
   -1.9242   -1.4144    0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0121   -2.8291    0.9347 S   0  3  2  0  0  0  0  0  0  0  0  0
   -1.7374   -3.8877    1.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -3.5269    3.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4893   -4.4290    3.8408 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9003   -5.8733    3.7902 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3060   -3.9827    5.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5341   -4.8942    6.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0758   -2.7913    5.5129 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.9517   -3.5497   -0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7866   -3.7623   -1.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.9962   -2.6937   -1.5137 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6376   -4.8816   -2.3175 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7982   -5.9225   -2.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9991   -4.3477   -3.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7157   -5.2099   -2.8740 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 35  1  6  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
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 11 40  1  1  0  0  0
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M  END
$$$$