Molecule FYI-1011558

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A

Molecule Summary:

ID: FYI-1011558
Names:
InChIKey: OXBIWQBTTCRDGT-UHFFFAOYSA-N
SMILES: C1N2CN3CN1CN(C2)C3.BrC(Br)Br

Received at FYIcenter.com on: 2024-08-09

Molecule ID: FYI-1011558 Edit

Molecule Structure InChIKey: OXBIWQBTTCRDGT-UHFFFAOYSA-N

Molecule Structure SMILES String: C1N2CN3CN1CN(C2)C3.BrC(Br)Br

Download SDF Download SVG Structure in 2D SDF:

FYI-1011558
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    1.9630    1.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8228    2.1953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6279    3.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732    3.6846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5979    3.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9224    1.8476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870    0.2633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0827    0.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643    1.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7867    1.8029    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1031    2.7750    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.1031    0.8308    0.0000 Br  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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  1  0  0  0  0
 10  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011558-3D
FYIcenter.com

 27 28  0  0  1  0  0  0  0  0999 V2000
   -1.2149    0.9320    1.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9812    0.2630    0.1717 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5085    0.7115   -1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0950    0.4036   -1.2858 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.6556    1.0709   -0.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2001    0.6232    1.0748 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.3836   -0.8174    1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3678   -1.4981    0.1339 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7790   -1.1778    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0935   -1.0360   -1.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1440   -1.8169   -0.4414 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8626   -0.0756    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254    1.2371   -1.3747 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.2117    0.5538    1.7566 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5760    0.6360    2.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3769    2.0173    1.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6816    1.7904   -1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0938    0.2471   -1.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5621    2.1621   -0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7264    0.8772   -0.3512 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0749   -1.1737    2.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4475   -1.0781    1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1593   -1.5465    1.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3755   -1.7068   -0.4738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -1.5613   -1.9723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1483   -1.2976   -1.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9405   -0.2141    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
M  END
$$$$

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2024-08-14, 1102👍, 0💬