Molecule FYI-1008926

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Molecule Summary:

ID: FYI-1008926
Names:
InChIKey: MTQLMFXHGFWFIX-UHFFFAOYSA-N
SMILES: CN(C)c1cc(N)ccn1

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

Molecule ID: FYI-1008926 Edit

Molecule Structure InChIKey: MTQLMFXHGFWFIX-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c1cc(N)ccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008926
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    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
    2.4249    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
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    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
    3.6373    0.7000    0.0000 N   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008926-3D
FYIcenter.com

 21 21  0     0  0  0  0  0  0999 V2000
    1.9204   -0.2804    0.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2688    1.4365    0.0029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432   -1.4977   -0.0032 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5601    0.1163    0.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941   -0.8884    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.5143   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2687   -1.6839    0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9685    0.7158   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0726    0.8342   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0433    1.7619    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1608   -1.9469   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8927   -2.1917    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3555   -1.8261    0.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8994   -2.1889   -0.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666    0.2650    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8982    1.3634    0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9017    1.3374   -0.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1069    1.1615   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2548    2.8262    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7166   -1.2232   -0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4963   -2.4784   -0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  2  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  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
M  END
$$$$

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2024-06-03, 1043👍, 0💬