Molecule FYI-1005510

A

Molecule Summary:

ID: FYI-1005510
Names:
InChIKey: GWBBFXWEJPCIIJ-UHFFFAOYSA-J
SMILES: Nc1ncnc2c1ncn2C4CC(OCc3ccccc3N(=O)=O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O4

Received at FYIcenter.com on: 2023-11-01

Molecule ID: FYI-1005510 Edit

Molecule Structure InChIKey: GWBBFXWEJPCIIJ-UHFFFAOYSA-J

Molecule Structure SMILES String: Nc1ncnc2c1ncn2C4CC(OCc3ccccc3N(=O)=O)C(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005510
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
   16.4708    1.9136    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1014    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6688    0.2910    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3626    1.0404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7952    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1646    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3110    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0320    4.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0029    4.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335    4.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5931    5.5888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    3.4473    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
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    9.7661    2.6903    0.0000 O   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
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
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 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  2  0  0  0  0
 38 31  2  0  0  0  0
 39 28  2  0  0  0  0
 40 25  1  0  0  0  0
 40 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005510-3D
FYIcenter.com

 57 60  0  0  1  0  0  0  0  0999 V2000
    0.3160   -2.3128   -0.0084 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5392   -2.7039    0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5262   -3.4117    1.6914 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7087   -3.8227    2.1895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478   -3.6010    1.7087 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9027   -2.8580    0.5899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7768   -2.3709   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -1.6281   -1.1449 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4470   -1.6731   -1.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9597   -2.4359   -0.1706 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3161   -2.8928    0.0467 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0315   -2.3119    1.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4919   -2.3980    0.8309 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9704   -3.7282    1.0603 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3873   -3.8059    0.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7671   -5.2475    1.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5553   -6.1057   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3839   -7.9895    1.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5919   -7.1595    2.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2875   -5.7889    2.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.8707    2.1231   -4.6801 P   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
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  4 43  1  0  0  0  0
  5  6  2  0  0  0  0
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  7  8  1  0  0  0  0
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 36 39  1  0  0  0  0
M  END
$$$$

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2023-11-09, 2016👍, 0💬