Molecule FYI-1001177

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Molecule Summary:

ID: FYI-1001177
SMILES: ClC1=CN=C(OC2CCNCC2)N=C1N3C=NC4=C3C=CC=C4

Received at FYIcenter.com on: 2022-02-18

Molecule ID: FYI-1001177 Edit

Molecule Structure SMILES String: ClC1=CN=C(OC2CCNCC2)N=C1N3C=NC4=C3C=CC=C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001177
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    3.3426   -0.4862    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    0.8767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566    0.3387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5673    1.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    2.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2101    2.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1886    3.1902    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564    2.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5458    1.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -0.8181    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.0243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -1.9748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660   -1.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -3.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    1.1320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9606    1.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4034    2.1539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2390    2.9338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5663    0.8757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1596    1.4081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8819   -2.7795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631   -3.5895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.3995    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
  7  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
  7 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  2  0  0  0  0
  2 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 15 19  1  0  0  0  0
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 20 21  2  0  0  0  0
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 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
  3 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
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 16 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001177-3D
FYIcenter.com

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.1533    0.1092   -0.2482 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4834    0.0140    0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1814    1.2058    0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5059    1.3094    0.5490 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2097    0.1685    0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5849    0.2436    0.6853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1320    1.5120    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2111    2.5388    1.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4921    2.4690    2.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6832    2.4708    1.3871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6820    1.2907    0.5294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4916    1.2854   -0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6734   -1.0587    0.3341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3113   -1.1294    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951   -2.4280    0.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5168   -2.7770    0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8651   -4.0157    0.4369 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8107   -4.5383   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2096   -3.5965   -0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3893   -3.9184   -1.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047   -5.2205   -1.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4925   -6.1648   -1.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -5.8369   -0.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469    2.1561    0.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4930    1.9272   -0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1513    3.5434    0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4929    1.5861    2.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7034    3.3180    0.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6086    1.2884   -0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6999    0.3818    1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6449    2.0894   -1.1556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4844    0.3406   -0.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080   -2.1007    1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796   -3.1906   -1.2627 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6094   -7.1657   -1.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4691   -6.5608   -0.6365 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
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  2  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
M  END
$$$$

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2022-04-21, 2049👍, 0💬