Molecule FYI-1008690

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Molecule Summary:

ID: FYI-1008690
Names:
InChIKey: FKMDHVOHDANIDG-UHFFFAOYSA-N
SMILES: COc1ccnc(N(C)C)n1

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

Molecule ID: FYI-1008690 Edit

Molecule Structure InChIKey: FKMDHVOHDANIDG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccnc(N(C)C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008690
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   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
    1.2125    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   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
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008690-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
   -2.6769   -0.5070    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9874   -0.5897   -0.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3589   -0.5629   -0.0025 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020    1.4907    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7840    0.1492   -0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2654    0.0921   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9574   -2.0380    0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4888    0.1743   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5040    1.5542    0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2667    2.1649    0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6009   -1.9279   -0.0024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1059   -0.6100   -0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3739    0.7122    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662    0.7298   -0.8881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4352   -2.4228   -0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517   -2.4083    0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9636   -2.4702    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4227    2.1262    0.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780    3.2460    0.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6223   -2.3197   -0.0017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0974   -2.2960    0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1001   -2.2923   -0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  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  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
$$$$

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2024-04-29, 165👍, 0💬