Molecule FYI-1008646

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A

Molecule Summary:

ID: FYI-1008646
Names:
InChIKey: SEKDMWKTUOAITP-UHFFFAOYSA-N
SMILES: CNC(=O)Cn1nc(Br)c(Br)n1

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

Molecule ID: FYI-1008646 Edit

Molecule Structure InChIKey: SEKDMWKTUOAITP-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)Cn1nc(Br)c(Br)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008646
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    8.4578    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.6624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.5624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3292    3.5318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6377    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4618    1.5701    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  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008646-3D
FYIcenter.com

 18 18  0     0  0  0  0  0  0999 V2000
   -3.3917   -1.9897    0.1660 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6718    1.6122    0.6826 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -0.4953    1.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2529    0.2066   -0.5548 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    0.1969   -0.3309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8178   -1.0112   -0.5232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9948    1.2667   -0.1964 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1805    0.3794   -0.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794   -0.0249    0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488   -0.7083   -0.1016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564    0.6754    0.0968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6354   -0.1077    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3005   -0.2405   -1.8772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2993    1.4365   -1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6512    0.6123   -1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0227    0.8299    0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3952   -0.5707   -0.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3703   -0.7825    1.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1464👍, 0💬