Molecule FYI-1009416

A

Molecule Summary:

ID: FYI-1009416
Names:
InChIKey: QYRTYIVWBIUFMP-UHFFFAOYSA-N
SMILES: COC(=O)C1C=CC=CC1c3ccc(CNc2nncn2C)o3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009416 Edit

Molecule Structure InChIKey: QYRTYIVWBIUFMP-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C1C=CC=CC1c3ccc(CNc2nncn2C)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009416
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    5.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836    0.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4606    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3974    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6763    0.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5300    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1606    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5912    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    2.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 14  1  0  0  0  0
 23 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009416-3D
FYIcenter.com

 41 43  0  0  1  0  0  0  0  0999 V2000
    1.2935   -2.4606    1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7186   -2.3524    1.0922 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1540   -1.2133    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4000   -0.3838   -0.0256 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6853   -1.1792    0.4209 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1186    0.0889   -0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4797    1.1918    0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4365    1.2201    1.8174 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3600    0.0829    2.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3100   -1.2787    1.8481 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6896   -1.8868    1.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8629   -1.4537    1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8382   -2.4342    1.4375 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2129   -3.4107    2.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7045   -4.6999    2.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5614   -5.8308    1.8271 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -6.0203    0.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7270   -5.4610    0.8173 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3577   -5.9549   -0.3024 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8745   -2.4446    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7466   -4.5893    3.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3847   -7.2004   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2177   -8.4909    0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
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 22 41  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1137👍, 0💬