Molecule FYI-1004430

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A

Molecule Summary:

ID: FYI-1004430
Names:
InChIKey: DFWFIQKMSFGDCQ-UHFFFAOYSA-N
SMILES: CC(C)Nc1nc(N)nc(Cl)n1

Received at FYIcenter.com on: 2023-09-05

Molecule ID: FYI-1004430 Edit

Molecule Structure InChIKey: DFWFIQKMSFGDCQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Nc1nc(N)nc(Cl)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1004430
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   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
    0.0000    4.2000    0.0000 Cl  0  0  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  2  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  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004430-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
   -1.7721   -2.8466    0.2219 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5553    0.8115    0.0709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7109    1.4030   -0.0556 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0502   -0.8956    0.1381 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3768   -0.3228    0.0107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9928    1.9314   -0.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6557   -0.1216    0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8880    0.6139    0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9149   -0.7655   -1.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2255    0.4286    0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9773    0.9568   -0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -1.1931    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193   -0.9035    0.9143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7499    1.7996   -0.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333   -0.0728    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1903    1.4129    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6917    1.0737    1.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0495   -1.3362   -1.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7645   -1.4545   -1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1415   -0.0107   -1.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7399    2.9079   -0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9609    1.6414   -0.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 10  2  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  2  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2275👍, 0💬