Molecule Editor

Molecule ID: FYI-1001619 Edit

Molecule Structure SMILES String: N#CC1=CN=C(C=C1)N2C(=NC(N(C)C)=N2)[C@H](C)N([H])C(=O)C3C=C(C=C(OC(F)(F)F)C=3)C4CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001619
FYIcenter.com

 29 32  0  0  1  0  0  0  0  0999 V2000
    5.1502   11.1601    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1907   10.2234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8996    8.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400    7.9172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2715    8.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5626    9.7192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5221   10.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118    7.4130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4444    5.4513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3813    6.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6813    7.7041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    5.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    6.0207    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    5.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2493    5.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3819    3.9284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3124    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0622    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  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
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 13 15  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 16  2  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001619-3D
FYIcenter.com

 57 60  0  0  1  0  0  0  0  0999 V2000
   -9.1499   -3.1246   -4.2261 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5920   -2.1145   -4.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8894   -0.8923   -3.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5538   -0.9187   -3.5280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8514    0.1901   -3.2106 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4689    1.4001   -3.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7962    1.5203   -3.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5154    0.3518   -3.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7475    2.5485   -2.7729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4910    2.5809   -2.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2848    3.7903   -1.6963 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4191    4.4839   -2.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5531    5.7632   -1.5772 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5427    6.3992   -0.7515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6955    6.5819   -1.9346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213    3.7778   -2.6932 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6322    1.3664   -1.9960 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0215    0.6740   -0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2230    1.7177   -1.9742 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7983    1.8956   -1.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    1.7685   -3.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2589    1.8608   -3.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0804    4.0885   -0.8176 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1477    5.0128   -0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6695    5.0322   -2.2397 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6896    6.2551   -0.7229 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    4.7233   -0.1168 F   0  0  0  0  0  0  0  0  0  0  0  0
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  3  8  1  0  0  0  0
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M  END
$$$$