Molecule FYI-1014426

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A

Molecule Summary:

ID: FYI-1014426
Names:
InChIKey: SNVQSNWRBSZHEL-CCEZHUSRSA-N
SMILES: NC2COC(/N=N/c1ccccc1)C(N)N2

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

Molecule ID: FYI-1014426 Edit

Molecule Structure InChIKey: SNVQSNWRBSZHEL-CCEZHUSRSA-N

Molecule Structure SMILES String: NC2COC(/N=N/c1ccccc1)C(N)N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014426
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 N   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
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  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
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 14  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014426-3D
FYIcenter.com

 31 32  0  0  1  0  0  0  0  0999 V2000
    1.0050   -0.1226    0.1025 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4499   -0.1206   -0.0019 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9707    0.9320   -1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6339    0.6162   -2.3764 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210   -0.6968   -2.7168 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5993   -0.8609   -2.7394 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1342   -0.1026   -3.5751 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5387   -0.2125   -3.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2398   -1.3877   -3.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6323   -1.4399   -3.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3417   -0.3181   -3.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615    0.8575   -4.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698    0.9065   -4.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -1.7765   -1.7279 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0241   -3.1286   -1.9288 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8107   -1.4938   -0.3220 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6813    0.7535    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7549   -0.8672    0.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8574    0.1265    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0602    1.0317   -0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434    1.9155   -0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7392   -0.9208   -3.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7032   -2.2777   -2.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1606   -2.3591   -3.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4233   -0.3619   -3.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2107    1.7338   -4.4662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7443    1.8252   -4.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321   -1.7986   -1.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0392   -3.0866   -1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7182   -3.4566   -2.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8160   -1.5935   -0.2138 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  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 22  1  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 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 930👍, 0💬