Molecule Editor

Molecule ID: FYI-1002384 Edit

Molecule Structure InChIKey: IFTJEMBCNXZLST-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C1CC1)S(=O)(=O)c5ccc(c4cnc(N)c(c3ccc2C(=O)NCCc2c3)n4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002384
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 N   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
   13.8493    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2493    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6368    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    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
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  2  0  0  0  0
  9  6  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  2  0  0  0  0
 15 14  1  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
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 18  1  0  0  0  0
 27 15  2  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 13  1  0  0  0  0
 31 12  1  0  0  0  0
 32 31  2  0  0  0  0
 32  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002384-3D
FYIcenter.com

 55 59  0     1  0  0  0  0  0999 V2000
   -5.9069    0.1278    0.0775 S   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2918    0.2953    1.4731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7449   -0.6747   -0.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2425    2.7598    1.6512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6845    1.6889   -0.6487 N   0  0  1  0  0  0  0  0  0  0  0  0
    6.6571    2.5659   -0.6026 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6330   -1.2171    0.1569 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1247   -3.9715   -0.0379 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4571   -3.5464    0.0554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7467    2.5753    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8170    4.0695   -0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2885   -0.5280    0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8394   -1.2693   -1.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450   -0.3103    1.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5466   -1.7930   -1.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1522   -0.8340    1.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029   -1.5752    0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4824    0.8000   -0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0281    1.4518   -2.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9476    1.1908    0.4545 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3671   -2.1156    0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9311   -0.7275    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8835   -1.7203    0.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 53  1  0  0  0  0
M  END
$$$$