Molecule FYI-1006339

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A

Molecule Summary:

ID: FYI-1006339
Names:
InChIKey: SVWZRGULYRDGJX-UHFFFAOYSA-N
SMILES: CN(C)c3ccc2nc1ccc(N(C)C)cc1sc2c3

Received at FYIcenter.com on: 2023-12-10

Molecule ID: FYI-1006339 Edit

Molecule Structure InChIKey: SVWZRGULYRDGJX-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c3ccc2nc1ccc(N(C)C)cc1sc2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006339
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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
    2.4249    2.8000    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
    3.6374    4.9000    0.0000 S   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
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 12  2  0  0  0  0
 17 16  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 20  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006339-3D
FYIcenter.com

 38 40  0  0  1  0  0  0  0  0999 V2000
    2.8257    0.4284    1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351    0.6362   -0.2527 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8892    2.0328   -0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220   -0.0413   -1.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2696    0.5542   -2.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3133    0.0481   -3.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9092   -1.1422   -2.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2951   -1.3403   -3.1210 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7074   -2.5637   -2.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0490   -2.8548   -2.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3675   -4.1334   -2.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6074   -5.2834   -2.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0421   -6.5970   -2.3506 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0374   -7.6304   -2.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3614   -6.9362   -1.8388 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4477   -5.0260   -3.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8328   -3.7469   -3.0323 C   0  0  3  0  0  3  0  0  0  0  0  0
    4.5192   -3.6935   -1.8859 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2325   -1.9486   -1.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3321   -1.3656   -1.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4140    1.1322    1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9166    0.5750    1.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062   -0.5740    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3888    2.4844    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860    2.0993   -1.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7814    2.6320   -0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253    1.4919   -2.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7006    0.6144   -4.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6037   -2.0135   -1.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136   -4.3190   -1.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -7.4303   -2.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9367   -7.7089   -0.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3459   -8.6041   -2.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1242   -6.2173   -2.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6715   -7.9149   -2.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3355   -6.9834   -0.7438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8646   -5.7866   -3.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9952   -1.9384   -0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
$$$$

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2023-12-29, 743👍, 0💬