Molecule FYI-1002273

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A

Molecule Summary:

ID: FYI-1002273
Names:
InChIKey: WQMYJJXFAQLBGP-GQCTYLIASA-O
SMILES: Nc1onc2C([O-])O/C(=N/O)[n+]12

Received at FYIcenter.com on: 2023-02-17

Molecule ID: FYI-1002273 Edit

Molecule Structure InChIKey: WQMYJJXFAQLBGP-GQCTYLIASA-O

Molecule Structure SMILES String: Nc1onc2C([O-])O/C(=N/O)[n+]12

Download SDF Download SVG Structure in 2D SDF:

FYI-1002273
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    0.4789    0.8940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8713    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8080    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    0.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5713    2.2529    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.4250    3.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7039    4.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.1742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    3.3205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  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
  6  2  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002273-3D
FYIcenter.com

 16 17  0  0  1  0  0  0  0  0999 V2000
    1.2524    0.3624   -0.0480 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4984   -0.0397   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4965    0.8671    0.0245 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7478    0.1614    0.0495 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3455   -1.1037   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9330   -2.4639   -0.0767 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4636   -2.6706   -1.2621 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7695   -3.3431    0.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6693   -2.5322   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4711   -3.0220    0.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4305   -2.0844   -0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   -1.2328   -0.0256 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0800    1.3521   -0.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5611   -0.3737   -0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4895   -2.6170    0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3524   -2.6775   -0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 11 16  1  0  0  0  0
M  END
$$$$

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2023-03-17, 437👍, 0💬