Molecule FYI-1006654

A

Molecule Summary:

ID: FYI-1006654
Names:
InChIKey: ZDMUNLMUXLXFRN-UHFFFAOYSA-N
SMILES: Cc5c(c3cccc(c2ccc1ccccc1c2)c3)c(=O)oc6cc(OCCn4ccnn4)ccc56

Received at FYIcenter.com on: 2024-01-09

Molecule ID: FYI-1006654 Edit

Molecule Structure InChIKey: ZDMUNLMUXLXFRN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5c(c3cccc(c2ccc1ccccc1c2)c3)c(=O)oc6cc(OCCn4ccnn4)ccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1006654
FYIcenter.com

 36 41  0  0  0  0  0  0  0  0999 V2000
   10.7029    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9153    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.6147    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4023    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
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 20  7  1  0  0  0  0
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 30 36  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006654-3D
FYIcenter.com

 59 64  0  0  0  0  0  0  0  0999 V2000
   -0.2761   -2.9853   -0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5734   -1.5052    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  2  0  0  0  0
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  6 41  1  0  0  0  0
  7  8  2  0  0  0  0
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  8  9  1  0  0  0  0
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M  END
$$$$

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2024-01-15, 215👍, 0💬