Molecule FYI-1001397

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A

Molecule Summary:

ID: FYI-1001397
SMILES: NC1=NC=CC(C)=C1C(NCC2=CC=C(F)C=C2)=O

Received at FYIcenter.com on: 2022-07-04

Molecule ID: FYI-1001397 Edit

Molecule Structure SMILES String: NC1=NC=CC(C)=C1C(NCC2=CC=C(F)C=C2)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001397
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    2.5369   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110   -1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910   -0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9230    1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5244    1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 12 18  1  0  0  0  0
  9 19  2  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001397-3D
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.1054   -0.4708    1.2372 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821   -0.1885    0.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921    1.0706    1.0063 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0459    1.3970    0.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9448    0.4937    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5343   -0.8292   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5570   -1.7608   -0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1923   -1.1686    0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810   -2.3831   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0933   -3.6280   -0.4573 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264   -4.7746   -0.7084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -5.9827   -1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3158   -7.2571   -1.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498   -8.3874   -1.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7231   -8.2485   -2.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1255   -9.3251   -3.4572 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2687   -7.0028   -3.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8332   -5.8697   -2.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3061   -2.2415   -0.7522 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822    0.4091    1.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5620   -0.9775    0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3218    2.4341    0.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9514    0.8302   -0.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5474   -1.2868   -0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2989   -2.0483   -1.7390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6727   -2.6441   -0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9358   -3.7898    0.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865   -4.4763   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112   -5.0546    0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5171   -7.3716   -0.3611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3166   -9.3636   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0097   -6.9183   -3.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2302   -4.8949   -2.6350 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
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1659👍, 0💬