Molecule FYI-1000938

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A

Molecule Summary:

ID: FYI-1000938
SMILES: O=S(NC(NC1=C(CCC2)C2=CC=C1C3=CC=NC(OC)=C3)=O)(N(C4=CN(C)N=C4)C5CCOCC5)=O

Received at FYIcenter.com on: 2021-07-20

Molecule ID: FYI-1000938 Edit

Molecule Structure SMILES String: O=S(NC(NC1=C(CCC2)C2=CC=C1C3=CC=NC(OC)=C3)=O)(N(C4=CN(C)N=C4)C5CCOCC5)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000938
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
    4.1498    2.4033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6157    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6591    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2285    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6209    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    8.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    6.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1602    9.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    7.8701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5047    6.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    2.4033    0.0000 O   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  1  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  2  0  0  0  0
 14  6  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  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  2  0  0  0  0
 22 15  1  0  0  0  0
 23  4  2  0  0  0  0
 24  2  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 31  1  0  0  0  0
 37  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000938-3D
FYIcenter.com

 67 71  0  0  0  0  0  0  0  0999 V2000
    4.6152   -3.2860    0.9810 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0294   -2.2906    0.1186 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9773   -1.2839    0.9214 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5945   -1.4650    2.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4053   -3.1356    3.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1233   -1.7650    5.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0909   -0.6532    6.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5592    0.4882    6.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1388    0.5763    4.7610 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    1.8703    4.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2803    3.0960    4.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9288    4.2874    4.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0239    4.3709    3.7811 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5097    3.2069    3.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5967    3.2257    2.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2467    4.4930    2.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9542    1.9593    3.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800   -2.2144    3.0148 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2 37  2  0  0  0  0
  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  2  0  0  0  0
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  7  8  1  0  0  0  0
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 25 30  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
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 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  2  0  0  0  0
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 31 32  1  0  0  0  0
 31 36  1  0  0  0  0
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 35 64  1  0  0  0  0
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 36 66  1  0  0  0  0
 36 67  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-08-13, 1882👍, 0💬