Molecule FYI-1000188

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Molecule Summary:

ID: FYI-1000188
SMILES: Cl.CC1(C)N=C(N)N=C(N)N1OCCCc1ccccc1

Received at FYIcenter.com on: 2020-11-09

Molecule ID: FYI-1000188 Edit

Molecule Structure SMILES String: Cl.CC1(C)N=C(N)N=C(N)N1OCCCc1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000188
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
  -14.6532   -2.8009   -0.3246 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4918    1.9288   -2.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1076    2.4845   -0.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1441    3.3550   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2142    3.2851   -0.1249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1102    2.7359    0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    3.5030    1.1031 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361    1.4464    1.0226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9325    0.7476    0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707   -0.5709    1.1864 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535    1.3741    0.2671 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4749    0.9646    0.5691 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846   -0.0450   -0.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4109   -0.4082    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9566   -1.4892   -0.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3615   -1.8469   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5768   -2.8582    0.5071 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8655   -3.1863    0.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9390   -2.5034    0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7238   -1.4928   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9660    2.7544   -1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0437    0.4773    0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4056   -0.7823    1.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3238   -2.3747   -0.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9619   -1.1151   -1.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7380   -3.3917    0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0336   -3.9759    1.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9458   -2.7593    0.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5625   -0.9591   -0.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2672   -0.3780   -1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
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  9 11  1  0  0  0  0
  3 11  1  0  0  0  0
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 12 13  1  0  0  0  0
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 16 21  2  0  0  0  0
  1 22  1  0  0  0  0
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  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 13 33  1  0  0  0  0
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 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
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 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000188-3D
FYIcenter.com

 43 43  0  0  0  0  0  0  0  0999 V2000
   -1.1167   -1.8797   -1.3695 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3666   -0.1896    0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8711   -0.0522    0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289   -0.1942    1.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2708   -1.1661   -0.5230 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8504   -1.0506   -1.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2089   -2.2136   -2.3856 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1553    0.2263   -2.1919 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8554    1.3094   -1.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2284    2.5524   -2.1414 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1809    1.2538   -0.2937 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9582    2.3992    0.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7557    2.9928   -0.0629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5613    4.3845    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6535    5.3748    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481    6.7687    0.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4141    7.3416    1.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2488    8.6423    2.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1211    9.3873    1.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1529    8.8284    0.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3120    7.5261    0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2373   -2.0900   -1.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254   -1.2129    0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8219   -0.0125   -0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113    0.5231    1.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4016   -1.1766    2.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3444    0.6106    2.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243   -0.1415    1.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0068   -3.1488   -2.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904   -2.1366   -3.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    2.5750   -3.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0411    3.4430   -1.6644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808    2.3905    0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7467    3.0994   -1.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5550    4.2925    1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    4.7687    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6621    5.4505   -0.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9759    0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2999    6.7857    1.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005    9.0781    2.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0005   10.3965    2.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2812    9.4100    0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5554    7.1169   -0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  4 26  1  0  0  0  0
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  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-12-15, 936👍, 0💬