Molecule FYI-1008692

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Molecule Summary:

ID: FYI-1008692
Names:
InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
SMILES: Cc2cc(C)nc(Nc1ccccc1)n2

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

Molecule ID: FYI-1008692 Edit

Molecule Structure InChIKey: ZLIBICFPKPWGIZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(C)nc(Nc1ccccc1)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1008692
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 C   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 C   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-1008692-3D
FYIcenter.com

 28 29  0     0  0  0  0  0  0999 V2000
   -0.4292    1.1420   -0.2531 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8483   -0.8057    0.0312 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    1.3524   -0.1477 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7982    0.5516   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200    0.5865   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0743   -1.3544    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0988    0.7376   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458   -0.6254    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.3342    0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9671   -0.7097   -0.5842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1317   -2.8356    0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3088    1.6097   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0269    0.7855    0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440   -1.2582   -0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2740   -0.5106    0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4056    2.1565   -0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2174   -1.0925    0.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5704    2.3452    0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2111   -1.3088   -1.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7050   -3.2891   -0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6012   -3.0933    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1273   -3.2717    0.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9621    1.3265   -0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329    2.6613   -0.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8652    1.5209    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8291    1.3678    1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4399   -2.2632   -0.8281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2689   -0.9367    0.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 17  1  0  0  0  0
  9 13  1  0  0  0  0
  9 18  1  0  0  0  0
 10 14  2  0  0  0  0
 10 19  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 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
M  END
$$$$

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2024-04-29, 837👍, 0💬