Molecule FYI-1005523

A

Molecule Summary:

ID: FYI-1005523
Names:
InChIKey: GEPUGUGSNUZJJZ-UHFFFAOYSA-N
SMILES: O=c1[nH]cnc2c1ncn2C4CC(OCc3ccccc3N(=O)=O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4

Received at FYIcenter.com on: 2023-11-02

Molecule ID: FYI-1005523 Edit

Molecule Structure InChIKey: GEPUGUGSNUZJJZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1[nH]cnc2c1ncn2C4CC(OCc3ccccc3N(=O)=O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005523
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
   16.4708    1.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   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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    9.7661    2.6903    0.0000 O   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  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 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-1005523-3D
FYIcenter.com

 60 63  0  0  1  0  0  0  0  0999 V2000
    0.2799   -2.1342    0.0399 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5948   -3.8201    2.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7819   -3.6084    1.6689 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7552   -2.8345    0.5580 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6576   -2.2785   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0141   -1.6041   -1.2024 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3145   -1.7902   -1.2871 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8840   -2.5024    1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3577   -2.4728    0.8829 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.9668   -5.1036    1.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6368    2.3886   -0.2046 P   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-09, 1566👍, 0💬