Molecule FYI-1008597

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A

Molecule Summary:

ID: FYI-1008597
Names:
InChIKey: AMHZCJNIRZHOAJ-UHFFFAOYSA-N
SMILES: Cc2nc(N)nc(Nc1ccccc1)n2

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

Molecule ID: FYI-1008597 Edit

Molecule Structure InChIKey: AMHZCJNIRZHOAJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2nc(N)nc(Nc1ccccc1)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008597
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   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
    4.8498    3.5000    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
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    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
    1.2125    1.4000    0.0000 C   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
    4.8498    2.1000    0.0000 N   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  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  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
 14  9  1  0  0  0  0
 15  7  2  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008597-3D
FYIcenter.com

 26 27  0     0  0  0  0  0  0999 V2000
   -0.4481    1.1058    0.1312 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8938   -0.8034   -0.0990 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819    1.3699    0.1415 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2814   -0.5651   -0.0939 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2185    1.5717    0.1411 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7458    0.5559    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353    0.5307    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026    1.3087   -0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727   -0.7409    0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1472   -1.2803   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0860    0.7649   -0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563   -1.2847    0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3129   -0.5316   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0715    0.7523    0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2947   -2.7538   -0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4227    2.1208    0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6389    2.3201   -0.7965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -1.3462    0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9089    1.3513   -0.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4355   -2.2907    0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3127   -0.9542   -0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0871   -3.1372    0.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660   -3.2755   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5507   -2.9809   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1092    2.5696    0.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1353    1.1503    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 16  1  0  0  0  0
  2  7  2  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  2  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 14  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
$$$$

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2024-06-03, 183👍, 0💬