Molecule FYI-1005470

A

Molecule Summary:

ID: FYI-1005470
Names:
InChIKey: GMIZZEXBPRLVIV-UHFFFAOYSA-N
SMILES: Cn4cc(c2cnn3c(N)c(Br)c(C1CCCNC1)nc23)cn4

Received at FYIcenter.com on: 2023-10-31

Molecule ID: FYI-1005470 Edit

Molecule Structure InChIKey: GMIZZEXBPRLVIV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn4cc(c2cnn3c(N)c(Br)c(C1CCCNC1)nc23)cn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005470
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.1961    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9837    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7048    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7679    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8374    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    3.9027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    4.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019    4.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    3.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.0295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8652    5.6924    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.6040    6.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9735    6.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4061    7.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4692    8.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999    8.6464    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    7.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005470-3D
FYIcenter.com

 41 44  0     1  0  0  0  0  0999 V2000
   -4.0402    1.9832   -0.2081 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7376   -3.1810   -1.0691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585    0.0280   -0.1062 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0697    2.3897    0.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1245    3.2513    0.0894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6086    4.0447   -0.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8166   -1.9313    0.0190 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397   -1.0638    0.1004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5662   -0.8468   -0.2468 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9812   -1.2924    1.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882   -1.9885   -1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7977   -2.5799    1.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0739   -3.6521    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6264    0.3158   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1974    1.7113   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098    1.0682   -0.0244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2972    2.7125   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8836    1.1074    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    0.0160    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2010    2.4683    0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5901   -1.3353   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    0.1242    0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0809   -3.3496   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6795   -1.9151   -0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6953   -3.5592   -0.9017 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6102   -3.6277    0.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366   -3.8955   -0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
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  2 33  1  0  0  0  0
  3 14  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 20  2  0  0  0  0
  6 17  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 22  2  0  0  0  0
  9 10  1  0  0  0  0
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  9 14  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
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 16 18  2  0  0  0  0
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 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-06, 1625👍, 0💬