Molecule FYI-1016231

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Molecule Summary:

ID: FYI-1016231
Names:
InChIKey: RGTWPXHBFMRQRP-UHFFFAOYSA-N
SMILES: N/C(COP(=O)(O)O)=N\\O

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016231 Edit

Molecule Structure InChIKey: RGTWPXHBFMRQRP-UHFFFAOYSA-N

Molecule Structure SMILES String: N/C(COP(=O)(O)O)=N\O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016231
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    6.0621    2.1000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.7621    0.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3621    3.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  1  1  0  0  0  0
 10  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016231-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
    2.1318   -0.1003   -0.1669 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5351   -0.0158   -0.4303 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684   -1.2059    1.0054 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492    1.2904    0.5947 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9620   -0.3567   -1.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6785   -0.6974   -0.3463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2138    1.4825   -0.2519 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850   -0.8769    0.1527 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3203    0.2233    0.6700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7490    0.2567    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2151   -0.5778    1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0738    1.1800    1.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1562    1.5878   -0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357    2.3155   -0.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1639   -1.4860    1.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822    1.5241    0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0327   -1.6014   -0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  9  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  6  8  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

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2025-12-09, 375👍, 0💬