Molecule FYI-1008674

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A

Molecule Summary:

ID: FYI-1008674
Names:
InChIKey: PJEIPBFGTNMPPM-UHFFFAOYSA-N
SMILES: CNC(=N)CCOC

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008674 Edit

Molecule Structure InChIKey: PJEIPBFGTNMPPM-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=N)CCOC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008674
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 N   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
    4.8497    0.0000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 O   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  3  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008674-3D
FYIcenter.com

 20 19  0     0  0  0  0  0  0999 V2000
   -1.8425    0.2269    0.0315 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9186   -0.0095    0.6056 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    1.9292    0.0208 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2374   -0.2307   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.8225   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0047    0.6106   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0258   -0.2789    0.6342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1041   -1.4251    0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8284   -0.9880   -1.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0780    0.4585   -1.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5656   -1.3884   -1.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7804   -1.4970    0.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1271    2.3119   -0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.5599    0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6236    0.5679    0.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796   -0.9081    1.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6146   -0.8469   -0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5564   -1.5930   -0.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201   -2.0453    0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8401   -1.8068    1.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  2  0  0  0  0
  2  8  1  0  0  0  0
  3  6  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
$$$$

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2024-04-29, 147👍, 0💬