Molecule Editor

Molecule ID: FYI-1015480 Edit

Molecule Structure InChIKey: USDWROAHVOBWFM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCNC2CN=C(C(=O)Nc1ccc(O)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015480
FYIcenter.com

 24 25  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
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    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
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    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
    8.4871    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
    8.4871    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    0.0000    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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  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
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015480-3D
FYIcenter.com

 50 51  0  0  1  0  0  0  0  0999 V2000
    1.1115   -0.8014    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5920   -0.5192    0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1329    0.3573    1.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197    0.6447    1.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444    1.5235    2.4412 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6305    1.8249    2.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1205    2.6979    3.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5456    2.9598    3.2658 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0705    3.7909    4.3450 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9642    3.1614    5.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6545    1.8459    5.8478 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7590    1.8463    5.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6053    0.5939    5.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6716    0.6933    4.4996 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0721   -0.5256    5.7070 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7030   -1.7877    5.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0700   -1.9500    5.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6610   -3.2127    5.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8827   -4.3286    5.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4236   -5.5808    5.7032 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5325   -4.1925    6.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9430   -2.9194    6.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2494    3.0859    4.4304 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4806    4.0506    4.0448 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7369   -1.4295   -0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9331   -1.3232    1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449   -0.0224   -0.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1415   -1.4671    0.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9762   -0.1411    2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773    1.3025    1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7803    1.1457    0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1801   -0.2977    1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9834    1.0204    3.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5800    2.4636    2.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7978    2.3291    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1957    0.8842    2.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    2.1601    4.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5576    3.6382    3.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7262    3.4544    2.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5548    4.7588    4.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9152    3.0264    6.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    3.8365    6.5118 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7191   -3.2933    5.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3527   -5.5071    5.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9352   -5.0775    6.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8823   -2.8402    6.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3351    3.1262    4.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  2  0  0  0  0
 23 50  1  0  0  0  0
M  END
$$$$