Molecule FYI-1008557

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A

Molecule Summary:

ID: FYI-1008557
Names:
InChIKey: HSOZFTGYXPQTLE-UHFFFAOYSA-N
SMILES: CC(Cl)c2nc(N)nc(Nc1ccccc1)n2

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008557 Edit

Molecule Structure InChIKey: HSOZFTGYXPQTLE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(Cl)c2nc(N)nc(Nc1ccccc1)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008557
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.3999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    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    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  9  2  0  0  0  0
 17  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008557-3D
FYIcenter.com

 29 30  0     1  0  0  0  0  0999 V2000
   -1.8419    2.9773   -1.2189 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -1.4217   -0.1144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449    0.3032    0.0573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0821   -0.2406    0.0465 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4435   -1.9851   -0.1262 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7346   -2.4857   -0.1357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    2.0631    0.2297 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0499    0.6163    0.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0455   -0.7077   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174   -1.0151   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118    2.7204    1.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1865   -1.3029    0.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1068    0.5940   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032   -1.5238   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3887   -0.5967    0.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.3001   -0.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500    0.7048    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4764    2.1803    0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9352   -2.4307   -0.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7161    2.7006    1.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553    2.1962    2.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1324    3.7650    1.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519   -2.3162    0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2563    1.0804   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2773   -1.0602    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    2.3100   -0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3867    1.2537    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6985   -2.1844   -0.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4969   -3.4641   -0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  2  0  0  0  0
  4  8  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  2  0  0  0  0
  6 14  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 12 23  1  0  0  0  0
 13 16  2  0  0  0  0
 13 24  1  0  0  0  0
 15 17  2  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1472👍, 0💬