Molecule FYI-1007320

A

Molecule Summary:

ID: FYI-1007320
Names:
InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-J
SMILES: Nc1ncnc2c1ncn2C3OC(COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])C(O)C3O

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007320 Edit

Molecule Structure InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-J

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1007320
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   14.0182    5.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2973    4.9232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4435    3.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3109    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0320    3.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8856    4.6698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    2.2370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7952    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1646    1.3156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    1.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   16.7225    2.9615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  0  0  0  0
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  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
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 14 13  1  0  0  0  0
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 29 12  1  0  0  0  0
 30 11  1  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007320-3D
FYIcenter.com

 43 45  0     1  0  0  0  0  0999 V2000
    3.7180    2.3361   -0.3759 P   0  0  2  0  0  0  0  0  0  0  0  0
    4.4755   -0.5189   -0.2034 P   0  0  2  0  0  0  0  0  0  0  0  0
    3.6948   -3.3201    0.4274 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2337    2.1343   -0.7765 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4007   -0.4978    0.0413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9203    2.0334    2.2387 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2352    2.9195   -0.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582    0.7515   -0.0741 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7281    2.8620    0.6208 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9378    2.5073   -1.8632 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4486   -1.6967    0.2734 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0787   -3.7651   -0.9799 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8217   -3.4328    1.4489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353    0.6303   -0.1284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0349    1.1646    0.6998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5283   -1.5756   -1.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8590   -2.1868   -0.6302 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3977   -0.7382    0.4920 N   0  0  0  0  0  0  0  0  0  0  0  0
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  4 24  1  0  0  0  0
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  5 22  1  0  0  0  0
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  6 23  1  0  0  0  0
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 29 30  2  0  0  0  0
 31 41  1  0  0  0  0
M  END
$$$$

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2024-03-07, 950👍, 0💬