Molecule FYI-1008943

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A

Molecule Summary:

ID: FYI-1008943
Names:
InChIKey: PEHJTVMOGGJPJM-UHFFFAOYSA-N
SMILES: Nc1nc(N)nc(CCl)n1

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

Molecule ID: FYI-1008943 Edit

Molecule Structure InChIKey: PEHJTVMOGGJPJM-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1nc(N)nc(CCl)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008943
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    3.5000    0.0000 C   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    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008943-3D
FYIcenter.com

 16 16  0     0  0  0  0  0  0999 V2000
   -3.2969    0.0002    0.8751 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3039    1.2001   -0.2306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3050   -1.1995   -0.2307 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7340   -0.0007    0.1730 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7036    2.3444    0.1688 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7017   -2.3454    0.1684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8960    0.0005   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0111    1.1218    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0101   -1.1224    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3588    0.0010   -0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6439   -0.8848   -1.2115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6436    0.8877   -1.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    2.3346    0.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1997    3.2149    0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1973   -3.2155    0.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928   -2.3363    0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  8  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
$$$$

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2024-05-29, 164👍, 0💬