Molecule FYI-1007226

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A

Molecule Summary:

ID: FYI-1007226
Names:
InChIKey: UMEIYBJBGZKZOS-UHFFFAOYSA-N
SMILES: c1nnc2CNCCn12

Received at FYIcenter.com on: 2024-02-08

Molecule ID: FYI-1007226 Edit

Molecule Structure InChIKey: UMEIYBJBGZKZOS-UHFFFAOYSA-N

Molecule Structure SMILES String: c1nnc2CNCCn12

Download SDF Download SVG Structure in 2D SDF:

FYI-1007226
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9009    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2933    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162    2.5579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5467    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  5  1  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
  9  8  1  0  0  0  0
  9  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007226-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    0.3069   -0.6796    0.0198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312    0.6491    0.3324 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427    1.1171   -0.0457 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3697    0.0068    0.0085 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8900   -1.4869    0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1288   -0.6754   -0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9732    1.4470   -0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2997    0.6851   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6042   -1.0632    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9717   -1.8413    1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7597   -2.3471   -0.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1727   -0.5561   -1.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0287   -1.2243   -0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9030    2.3386    0.5244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1298    1.7867   -1.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9891    1.1440    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -2.0909    0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  9 17  1  0  0  0  0
M  END
$$$$

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2024-02-18, 177👍, 0💬