Molecule FYI-1002625

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A

Molecule Summary:

ID: FYI-1002625
Names:
InChIKey: DCCRTSMPXPUFSZ-UHFFFAOYSA-N
SMILES: Cc2cc(C)c1c(=N)[nH]c(C)nc1c2

Received at FYIcenter.com on: 2023-04-15

Molecule ID: FYI-1002625 Edit

Molecule Structure InChIKey: DCCRTSMPXPUFSZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(C)c1c(=N)[nH]c(C)nc1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1002625
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   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
    1.2125    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  2  0  0  0  0
 14  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002625-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.0057   -0.0388    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   -0.0961    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714   -1.3246    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5787   -1.4116    0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1623   -2.7944    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3333   -0.2174    0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8328   -0.1160    0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7029   -1.0783    0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3415    1.1457    0.0384 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6178    2.2994    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3590    3.6100    0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3181    2.3050    0.0313 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623    1.0423    0.0325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2617    1.0793    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5667   -1.0425    0.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6470    0.4835   -0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6441    0.4792    0.9246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5779   -2.2394    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3834   -3.5654    0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7611   -2.9488    0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7553   -2.9659   -0.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2845   -2.0009    0.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3511    1.1820    0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4404    3.4454    0.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0878    4.1805    0.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0887    4.1839   -0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7629    2.0457    0.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 27  1  0  0  0  0
M  END
$$$$

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2023-04-17, 415👍, 0💬