Molecule FYI-1007212

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A

Molecule Summary:

ID: FYI-1007212
Names:
InChIKey: ANHQLUBMNSSPBV-UHFFFAOYSA-N
SMILES: O=C2COc1cccnc1N2

Received at FYIcenter.com on: 2024-02-07

Molecule ID: FYI-1007212 Edit

Molecule Structure InChIKey: ANHQLUBMNSSPBV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2COc1cccnc1N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007212
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
  8 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007212-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    0.5873   -1.6608   -0.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3252    0.6927   -0.1025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0661    1.1148   -0.0394 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643    1.4987    0.0436 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4313   -0.7607   -0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2408    0.6134    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8428   -1.1628    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1675    0.2929    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7338   -1.2518   -0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8021   -0.3651   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166    0.9885    0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6096   -1.7713   -0.2112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389   -1.3257    1.3614 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858    2.1197   -0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9218   -2.3205   -0.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8255   -0.7220   -0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3139    1.7236    0.0830 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  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  0  0  0  0
M  END
$$$$

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2024-02-18, 779👍, 0💬