Molecule FYI-1005934

A

Molecule Summary:

ID: FYI-1005934
Names:
InChIKey: XTWYTFMLZFPYCI-UHFFFAOYSA-N
SMILES: Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O

Received at FYIcenter.com on: 2023-11-22

Molecule ID: FYI-1005934 Edit

Molecule Structure InChIKey: XTWYTFMLZFPYCI-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005934
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
   13.0399    5.6877    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.4712    5.6877    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.1106    5.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3022    2.0156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2894    2.6505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8242    4.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2556    4.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0399    7.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0399    4.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6869    4.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4712    7.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4712    4.2839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1356    3.9340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6869    7.7932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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 23 25  1  0  0  0  0
 24 36  1  0  0  0  0
 25 26  2  0  0  0  0
 27 37  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005934-3D
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
    4.2445    0.6963   -0.3715 P   0  0  2  0  0  0  0  0  0  0  0  0
    5.6979   -1.7164    0.4773 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436    0.3703    0.8140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8596    3.6368   -0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4879    2.6142   -1.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611    0.8853   -0.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4129   -0.8732   -0.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4998    1.4225    1.0514 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1339    1.1783   -1.4808 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6995   -1.6426   -0.7891 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728   -3.2448    0.4557 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2804   -1.2567    1.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9890    0.6819    0.7537 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1565    0.2799    1.0923 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4300   -1.2153   -0.6568 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3777   -2.6320   -1.0515 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5310   -2.1415   -0.1297 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4313    2.3220   -0.3111 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.3209    0.7608   -0.1785 C   0  0  1  0  0  0  0  0  0  0  0  0
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    7.6028   -2.0150   -0.7026 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-11-25, 2182👍, 0💬