Molecule FYI-1009351

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A

Molecule Summary:

ID: FYI-1009351
Names:
InChIKey: TYXJHQAQYDQDSZ-UHFFFAOYSA-N
SMILES: NC2C=C(N1CCCCC1)N=CN2

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009351 Edit

Molecule Structure InChIKey: TYXJHQAQYDQDSZ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC2C=C(N1CCCCC1)N=CN2

Download SDF Download SVG Structure in 2D SDF:

FYI-1009351
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    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
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
  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  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009351-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    4.8535    1.8371   -0.5254 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9063    1.2197   -1.4125 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3255   -0.1159   -1.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5841   -1.2259   -1.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0516   -2.4502   -2.1911 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1304   -3.5129   -2.6284 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756   -4.8023   -1.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8439   -5.2192   -1.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7457   -4.0663   -1.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4704   -2.8182   -2.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620   -1.1538   -1.0827 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9888   -0.0437   -0.5564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7218    1.1557   -0.6221 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7422    1.9420   -1.0137 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0440    1.1949    0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236    1.8672   -2.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577   -0.1537   -2.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2919   -3.6935   -3.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0797   -3.2190   -2.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7560   -5.6068   -2.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0693   -4.6617   -0.8035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1088   -5.5339   -2.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0070   -6.0805   -1.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7971   -4.3562   -1.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5750   -3.8428   -0.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7198   -2.9932   -3.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1357   -2.0280   -1.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    0.0433   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    1.9999   -0.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  2  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1107👍, 0💬