Molecule Editor

Molecule ID: FYI-1010476 Edit

Molecule Structure InChIKey: YRFRGLDNJUDFQE-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)n3c(C#N)c(C#N)c2CN(c1ccc(Cl)cn1)CCc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1010476
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
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    9.8501   10.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3377    8.8689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    9.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128   11.4813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    9.3813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    9.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4303   11.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1392   12.6895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    8.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    9.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.2029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    7.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    7.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7908    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1868    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6909    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0603    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    2.9541    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0520    6.3664    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  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  3  0  0  0  0
 12  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  3  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 16  8  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27 19  1  0  0  0  0
 27 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010476-3D
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    3.9448    1.4234   -1.4686 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2487    0.7918   -0.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2971   -0.7205   -1.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4208    1.4454   -1.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4586    1.0937    0.4394 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816    0.6284    1.3575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5847   -0.0479    1.1639 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    1.0030    2.6706 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0173    1.8268    3.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9057    2.5261    2.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6342    3.1099    1.5122 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0629    1.8578    4.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0241    2.5705    5.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903    3.1385    5.9055 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0032    1.0600    4.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5969    0.7061    6.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283   -0.3022    6.4220 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6889   -1.4461    7.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156   -1.3672    8.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3219   -2.5107    9.2694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9122   -3.7268    8.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238   -5.1605    9.6857 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    6.2259   -1.1487   -0.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4496   -1.3519    3.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
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  6  7  2  0  0  0  0
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 19 39  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 25 26  1  0  0  0  0
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 26 45  1  0  0  0  0
M  END
$$$$