Molecule FYI-1004996

A

Molecule Summary:

ID: FYI-1004996
Names:
InChIKey: ILXAAKUDYPHVAJ-UHTFHVAVSA-N
SMILES: Nc1ncnc2c1ncn2C4OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC3CNO[C@H]3N)C(O)C4O

Received at FYIcenter.com on: 2023-10-07

Molecule ID: FYI-1004996 Edit

Molecule Structure InChIKey: ILXAAKUDYPHVAJ-UHTFHVAVSA-N

Molecule Structure SMILES String: Nc1ncnc2c1ncn2C4OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OC3CNO[C@H]3N)C(O)C4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004996
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    5.9938    1.7641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5905    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    3.5544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    4.2544    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    5.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    6.3544    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    7.7544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0579    6.3544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3703    3.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0703    4.2544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 35 10  2  0  0  0  0
 36  8  1  0  0  0  0
 37  8  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004996-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    6.0716    5.2229    1.2956 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8496    3.9149    1.6723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7739    3.6609    2.4646 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646    2.3924    2.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3057    1.2961    2.6420 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3304    1.5920    1.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.8289    1.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7743    2.7156    0.4887 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1170    1.4422    0.5464 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3011    0.7356    1.3815 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4489   -0.6213    1.8623 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7781   -1.1544    1.6115 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6138   -2.5576    1.2618 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7366   -3.4502    1.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7166   -3.6371    3.2741 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9841   -4.4769    3.8655 P   0  0  3  0  0  0  0  0  0  0  0  0
   11.3588   -5.6618    3.0379 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1428   -3.3719    3.7796 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2331   -4.4083    7.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4115   -3.1184    7.0784 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-10-15, 393👍, 0💬