Molecule Editor

Molecule ID: FYI-1015485 Edit

Molecule Structure InChIKey: SYLBPNQGAJAEQQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCNC2CN=C(C(=O)Nc1cccc(O)c1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015485
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  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 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015485-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    3.7893    4.0392   -0.8171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3178    2.6485   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950    1.9858   -1.7528 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4232    0.5825   -1.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0161   -0.0401   -2.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5726   -1.3563   -2.4122 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1501   -1.9908   -3.5963 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3916   -1.2632   -4.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4986   -1.1454   -3.2069 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6080   -2.2199   -2.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6983   -2.2898   -1.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8821   -3.3859   -0.9116 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3375   -1.0975   -1.1555 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3573   -0.9220   -0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0312   -1.9965    0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9877   -1.7900    1.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2866   -0.4990    1.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6432    0.5746    1.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9043    1.8566    1.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6985    0.3777    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7017   -3.4173   -2.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5304   -3.3570   -3.2207 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3766    4.4988    0.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0903    2.7208    0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7079    2.6052   -2.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242    1.9268   -2.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6115   -0.0456   -1.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1916    0.6414   -0.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7987    0.6297   -3.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2415   -0.1189   -3.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344   -1.9748   -2.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3879   -2.0748   -4.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1203   -0.2617   -4.5388 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7595   -1.8082   -5.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9636   -0.2792   -1.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8449   -3.0233    0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4855   -2.6456    1.8450 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0141   -0.3541    2.6057 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5124    1.8278    2.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2149    1.2436   -0.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1108   -4.3791   -2.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
M  END
$$$$