Molecule FYI-1014421

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A

Molecule Summary:

ID: FYI-1014421
Names:
InChIKey: GXAYBJJDRFNXDP-CCEZHUSRSA-N
SMILES: Nc2ccc(/N=N/c1ccccc1)c(N)p2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014421 Edit

Molecule Structure InChIKey: GXAYBJJDRFNXDP-CCEZHUSRSA-N

Molecule Structure SMILES String: Nc2ccc(/N=N/c1ccccc1)c(N)p2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014421
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 16  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014421-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.1250    0.1537   -0.3013 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4870   -0.0192   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3369    1.0775    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7131    0.9724    0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3581   -0.2692    0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7526   -0.2322    0.6764 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3783   -0.9797   -0.1043 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7764   -0.9860    0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586   -0.3931    1.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8569   -0.4206    1.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5899   -1.0529    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9271   -1.6753   -0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5322   -1.6437   -0.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6457   -1.4875    0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2575   -2.7353    0.4699 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880   -1.6205   -0.0026 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.6865    0.8012    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -0.7487   -0.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9086    2.0759   -0.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3002    1.8872    0.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9084    0.0996    1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3742    0.0573    2.0419 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6760   -1.0634    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4903   -2.1791   -1.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0215   -2.1310   -1.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1621   -2.7661    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6348   -3.4894    0.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  2  0  0  0  0
  3  4  2  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1236👍, 0💬