Molecule FYI-1015646

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A

Molecule Summary:

ID: FYI-1015646
Names:
InChIKey: ADRACCIYGWVSDS-UHFFFAOYSA-N
SMILES: CCCCCCCNC(=O)C1=NC=CNC1N

Received at FYIcenter.com on: 2025-09-21

Molecule ID: FYI-1015646 Edit

Molecule Structure InChIKey: ADRACCIYGWVSDS-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCNC(=O)C1=NC=CNC1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1015646
FYIcenter.com

 17 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 O   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
    7.2747    1.4000    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
    4.8497    1.4000    0.0000 C   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
    2.4249    1.4000    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
    0.0000    1.4000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015646-3D
FYIcenter.com

 39 39  0  0  1  0  0  0  0  0999 V2000
    1.0561    0.2350   -0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5755    0.1780   -0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1186    0.4399    1.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6475    0.3832    1.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1813    0.6442    2.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7096    0.5939    2.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2300    0.8514    4.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6764    0.8240    4.3155 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4335    1.9666    4.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9806    3.0891    3.9634 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9370    1.7674    4.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3807    0.8230    5.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7481    0.7599    5.2263 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6131    1.6002    4.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1999    2.6025    3.8061 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8061    2.7382    3.4277 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5667    2.4666    2.0155 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864    0.0453   -1.0700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6950    1.2195    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6237   -0.5183    0.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9757    0.9212   -0.7302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9046   -0.8075   -0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096   -0.3034    2.0689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7807    1.4246    1.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0570    1.1281    0.7115 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9859   -0.6013    1.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7697   -0.1017    3.5053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8375    1.6273    3.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1253    1.3391    2.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0608   -0.3860    2.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8631    0.0878    4.9649 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8799    1.8263    4.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1739   -0.0466    4.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1178   -0.0069    5.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6854    1.5380    4.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8881    3.2058    3.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4887    3.7588    3.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9418    1.5373    1.8334 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1528    3.1046    1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
M  END
$$$$

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2025-09-24, 855👍, 0💬