Molecule FYI-1008554

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A

Molecule Summary:

ID: FYI-1008554
Names:
InChIKey: SDSCOBGYAUKKBC-UHFFFAOYSA-N
SMILES: CC(Cl)c1nc(N)nc(N(C)C)n1

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

Molecule ID: FYI-1008554 Edit

Molecule Structure InChIKey: SDSCOBGYAUKKBC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(Cl)c1nc(N)nc(N(C)C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008554
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 N   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
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  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
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008554-3D
FYIcenter.com

 25 25  0     1  0  0  0  0  0999 V2000
    2.9611    1.1639    1.4127 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0833    1.1673    0.0038 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2055    0.7310   -0.0397 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564   -1.5479   -0.0224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3923   -1.0583    0.0201 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6282   -3.2755    0.0381 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692    0.2464   -0.0808 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1536   -0.2199   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431    0.2380   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    1.1152   -1.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8100    2.5985   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4748    0.7345    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3407   -1.8933    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2379   -0.6218   -0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3405    2.0409   -1.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7245    0.5739   -2.2245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9884    1.3840   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284    3.1945    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2676    2.8707   -0.9331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2110    2.8915    0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1698    1.5807    0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6785    0.1373    0.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7047    0.1339   -0.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1319   -3.9414    0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5908   -3.5824    0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  2  0  0  0  0
  4 13  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  2  0  0  0  0
  6 13  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1216👍, 0💬