Molecule FYI-1001451

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Molecule Summary:

ID: FYI-1001451
SMILES: NC1=NC(OCC2CCCCC2)=C3C(NC=N3)=N1

Received at FYIcenter.com on: 2022-07-28

Molecule ID: FYI-1001451 Edit

Molecule Structure SMILES String: NC1=NC(OCC2CCCCC2)=C3C(NC=N3)=N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001451
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.5369   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.7447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -1.1353    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    4.0349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    4.0349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    3.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264    2.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -3.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
  2 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001451-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   -2.9445   -0.5876   -0.7974 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6437   -0.1821   -0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4424    1.1379   -0.4376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1767    1.6033   -0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0904    2.9788   -0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2385    3.4919   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841    5.0275   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5923    5.5877   -1.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982    7.1148   -1.3376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924    7.6755   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5806    7.1290    0.2197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5856    5.6029    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8785    0.6816   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5134   -0.6455   -0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6771   -1.3534   -0.2545 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6945   -0.4539   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2493    0.7824   -0.0466 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7151   -1.1472   -0.5069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878    0.1155   -0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -1.5392   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    3.1702   -0.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6937    3.1398    0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5225    5.3323    0.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4370    5.2345   -1.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679    5.2181   -2.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0940    7.4874   -0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2304    7.4761   -2.3044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    8.7692   -1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6524    7.4175   -1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9966    7.4990    1.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6031    7.5019    0.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9651    5.2520    1.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2826    5.2380   -0.5327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7554   -2.3566   -0.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7316   -0.7568   -0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 457👍, 0💬