Molecule FYI-1002327

A

Molecule Summary:

ID: FYI-1002327
Names:
InChIKey: SGFZHMHITMINID-UHFFFAOYSA-N
SMILES: CCCCNC(=O)C4CCN(c3ccc2nnc(c1cccc(C)c1)n2n3)CC4

Received at FYIcenter.com on: 2023-02-27

Molecule ID: FYI-1002327 Edit

Molecule Structure InChIKey: SGFZHMHITMINID-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCNC(=O)C4CCN(c3ccc2nnc(c1cccc(C)c1)n2n3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002327
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    6.3610    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0699   10.4693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776   10.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    9.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    9.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   10.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    9.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1486    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5735    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5735    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 29  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
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 21 20  1  0  0  0  0
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 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002327-3D
FYIcenter.com

 57 60  0     0  0  0  0  0  0999 V2000
   -3.6748   -2.2827   -0.4393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9011    0.5461   -0.4529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3787   -0.7218   -0.7215 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3749    0.6045   -0.0855 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739    1.3961   -0.0230 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890    3.1541   -0.0699 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5540    2.0436    0.2236 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-04, 1944👍, 0💬