Molecule FYI-1013669

A

Molecule Summary:

ID: FYI-1013669
Names:
InChIKey: GKMLFXWGGISNNL-UHFFFAOYSA-N
SMILES: Cc1cccnc1c3cc(S(C)(=O)=O)nc4c(C2CCCCC2)c(Br)nn34

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013669 Edit

Molecule Structure InChIKey: GKMLFXWGGISNNL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cccnc1c3cc(S(C)(=O)=O)nc4c(C2CCCCC2)c(Br)nn34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013669
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1026    5.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9047    4.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1409    6.9693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8499    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2499    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4499    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  1  0  0  0  0
 23  8  1  0  0  0  0
 23 12  1  0  0  0  0
 24 10  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 24  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013669-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
   -1.9045   -1.9839    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0603   -0.8984    0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5570    0.4056    0.3950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7673    1.4109   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5073    1.0844   -0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0296   -0.1558   -0.4897 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329   -1.1320    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8723   -2.4469    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409   -2.7498    1.1233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446   -4.0643    1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4828   -4.4458    2.4017 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0397   -4.5931    1.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376   -3.2727    3.2555 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0969   -5.7410    2.9319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2253   -4.9357    0.0964 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3810   -4.6033   -0.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9330   -7.7544   -1.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4024   -9.1616   -1.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9116   -9.2083   -2.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3474   -8.2163   -3.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9072   -6.7949   -2.7565 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1515   -4.3987   -2.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6869   -4.7241   -4.3997 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    0.7236   -3.3627   -0.9817 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4200   -8.9765   -1.0818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226   -8.5113   -4.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4375   -8.2454   -3.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1715   -6.1274   -3.5866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4799   -6.4498   -1.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
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  6  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
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 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 27  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

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