Molecule FYI-1007549

A

Molecule Summary:

ID: FYI-1007549
Names:
InChIKey: NEOVTYQDNTUFDO-SFHVURJKSA-N
SMILES: Cc4ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1c3sc(C)c(C)c23)cc4

Received at FYIcenter.com on: 2024-02-29

Molecule ID: FYI-1007549 Edit

Molecule Structure InChIKey: NEOVTYQDNTUFDO-SFHVURJKSA-N

Molecule Structure SMILES String: Cc4ccc(C2=N[C@@H](CC(=O)OC(C)(C)C)c1nnc(C)n1c3sc(C)c(C)c23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007549
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    5.3332    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7459    1.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1108    1.6493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5234    2.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5712    4.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2189    8.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5228   10.3406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3625    9.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.9120    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  5  1  0  0  0  0
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  9  8  2  0  0  0  0
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 17  8  1  0  0  0  0
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 10 24  1  1  0  0  0
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 28 27  1  0  0  0  0
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 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007549-3D
FYIcenter.com

 59 62  0     1  0  0  0  0  0999 V2000
   -3.9675   -1.3756   -0.8129 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1620   -1.2353    0.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8420   -0.6969   -1.6261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7961   -2.2670    0.4453 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2271   -3.5293    1.3463 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -4.0974    1.6251 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-03-17, 176👍, 0💬