Molecule FYI-1006191

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A

Molecule Summary:

ID: FYI-1006191
Names:
InChIKey: OQKIKGLRHLBGMT-UHFFFAOYSA-O
SMILES: NC2=CC1=CC=N[NH+]1C(N)=C2N

Received at FYIcenter.com on: 2023-11-30

Molecule ID: FYI-1006191 Edit

Molecule Structure InChIKey: OQKIKGLRHLBGMT-UHFFFAOYSA-O

Molecule Structure SMILES String: NC2=CC1=CC=N[NH+]1C(N)=C2N

Download SDF Download SVG Structure in 2D SDF:

FYI-1006191
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 N   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
    0.8229    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.0000    0.0000 N   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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
  4  7  1  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006191-3D
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.1788    1.8972   -2.6319 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7078    0.6758   -2.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -0.2662   -1.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248   -1.2974   -0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4658   -2.1172    0.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302   -1.8809    1.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4397   -1.3331    0.8819 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5046   -1.3812   -0.4808 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7382   -0.4175   -1.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4560   -0.7943   -0.9815 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2459    0.5335   -2.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4618    1.3367   -2.8523 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8850    2.2305   -1.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791    2.5354   -2.5699 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5606   -0.2080   -1.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4703   -2.4930    0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987   -2.0180    2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -2.3201   -0.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791   -1.1730   -0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3814   -1.6529   -1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    0.8913   -2.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8977    1.2884   -3.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
M  END
$$$$

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2023-12-10, 305👍, 0💬