Molecule FYI-1002320

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A

Molecule Summary:

ID: FYI-1002320
Names:
InChIKey: XSDQTOBWRPYKKA-UHFFFAOYSA-N
SMILES: N/C(N)=N/C(=O)c1nc(Cl)c(N)nc1N

Received at FYIcenter.com on: 2023-02-27

Molecule ID: FYI-1002320 Edit

Molecule Structure InChIKey: XSDQTOBWRPYKKA-UHFFFAOYSA-N

Molecule Structure SMILES String: N/C(N)=N/C(=O)c1nc(Cl)c(N)nc1N

Download SDF Download SVG Structure in 2D SDF:

FYI-1002320
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   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
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9 12  1  0  0  0  0
 10 12  1  0  0  0  0
 11  5  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002320-3D
FYIcenter.com

 23 23  0     0  0  0  0  0  0999 V2000
   -2.3546    2.6599   -0.5229 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6926   -1.6986   -1.2164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0899   -1.1792    0.5167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5153    0.8520   -0.6063 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2504   -2.6725    0.3395 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1600    0.5125   -0.7213 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9055    0.3375    0.6773 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6599    1.7951    0.6579 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6926   -0.1091    1.4587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0703   -0.3859   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8098   -1.3886    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5686    0.0638    0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7954    1.0616   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3465   -0.5957   -0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8080    0.7473    0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -3.3770    0.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7430   -2.7485    0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4387   -0.4193    1.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1530    1.2884    0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8490    2.5074   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1193    1.8881    1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1200   -0.9450    1.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1941    0.0702    2.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  2  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 12  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 15  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-17, 1852👍, 0💬