Molecule FYI-1000953

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Molecule Summary:

ID: FYI-1000953
SMILES: C(\\\\N=N/C1=NCCN1)C1=CC=CC(=C1)C1=CN2C=C(\\\\C=N\\\\NC3=NCCN3)C=CC2=N1

Received at FYIcenter.com on: 2021-07-28

Molecule ID: FYI-1000953 Edit

Molecule Structure SMILES String: C(\N=N/C1=NCCN1)C1=CC=CC(=C1)C1=CN2C=C(\C=N\NC3=NCCN3)C=CC2=N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000953
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    3.8248   15.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373   15.1448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   15.8448    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497   17.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171   18.0677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   19.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9497   19.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3823   18.0677    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   15.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   15.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   15.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875   13.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   13.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   13.7448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673   10.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    9.4903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.6406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4281    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.9368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1710    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    2.0694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    8.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    9.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326   10.8218    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  1  0  0  0  0
  9  1  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
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  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  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 23  1  0  0  0  0
 28 19  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 30 17  1  0  0  0  0
 31 30  2  0  0  0  0
 31 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000953-3D
FYIcenter.com

 53 57  0  0  0  0  0  0  0  0999 V2000
    4.4776    2.3055    1.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417    2.5143    2.8516 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5256    3.4485    3.6928 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560    4.3586    3.6661 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0553    4.8401    2.5512 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1312    5.7588    2.9910 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7905    6.0991    4.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0704    4.9053    4.8161 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2298    1.0854    0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4996    1.1943   -0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3654    0.0970   -1.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9591   -1.1229   -0.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6787   -1.2641    0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7887   -0.1525    1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3232   -2.5307    0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0627   -2.8100    1.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4923   -4.1017    1.7670 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2695   -4.8710    2.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5799   -6.1333    2.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4444   -6.9487    3.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7764   -6.5677    4.3552 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6616   -7.3748    5.0129 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1872   -7.0712    6.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2655   -7.5993    6.7406 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3882   -6.9469    8.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1470   -6.0663    8.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5308   -6.1391    6.9755 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1085   -6.6401    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545   -5.8807    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0086   -4.5530    0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2972   -3.6262   -0.0587 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    2.2066    2.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5109    3.1494    1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1708    6.6465    2.3542 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0902    5.2312    2.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1265    6.9697    4.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6769    6.2812    5.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4151    4.9684    5.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0577    2.1476   -0.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186    0.1933   -1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8648   -1.9641   -1.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3421   -0.2236    2.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3230   -2.2266    2.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5974   -4.4032    3.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7957   -7.9055    2.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2752   -7.9895    4.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3049   -6.3482    8.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4480   -7.7135    8.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4191   -5.0349    8.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4923   -6.4601    9.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5229   -6.2092    6.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3794   -7.6503    0.6957 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0026   -6.2485   -0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  2  0  0  0  0
 11 40  1  0  0  0  0
 12 13  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  2  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  2  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-11-01, 379👍, 1💬