Molecule FYI-1003432

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A

Molecule Summary:

ID: FYI-1003432
Names:
InChIKey: KNWYONXFKZDKFH-UHFFFAOYSA-N
SMILES: CC(=O)c3ccc(c2nc1ccccc1[nH]2)nc3C

Received at FYIcenter.com on: 2023-06-17

Molecule ID: FYI-1003432 Edit

Molecule Structure InChIKey: KNWYONXFKZDKFH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c3ccc(c2nc1ccccc1[nH]2)nc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1003432
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    1.0248    9.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248   10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248   10.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5574    7.1229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    9.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2922    7.1229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  1  8  1  0  0  0  0
  5  3  2  0  0  0  0
  4  7  1  0  0  0  0
  7  5  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
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
  4 10  1  0  0  0  0
  6 11  2  0  0  0  0
  6 15  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 17 19  2  0  0  0  0
 16 19  1  0  0  0  0
 15 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003432-3D
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    3.2913    1.1911   -0.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4697   -0.0231   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933   -0.1150   -0.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -1.1045    0.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1537   -0.7871    1.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7433   -1.7884    2.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784   -3.0867    2.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8128   -4.1729    3.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7749   -4.1036    3.9581 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8656   -5.3618    4.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7013   -5.8382    5.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5794   -7.1757    5.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6494   -8.0215    5.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8146   -7.5662    4.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9545   -6.2279    3.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166   -5.4537    2.9782 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2866   -3.4316    1.3809 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7191   -2.4438    0.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -2.9075   -0.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7763    1.7597   -1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2644    0.8878   -0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138    1.8344    0.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5018    0.2334    1.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5392   -1.5611    3.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4172   -5.1749    5.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2145   -7.5565    6.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5705   -9.0550    5.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0924   -8.2225    3.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5746   -5.7315    2.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438   -4.0016   -0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316   -2.5281   -1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6622   -2.5902    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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2023-07-01, 1436👍, 0💬