Molecule Editor

Molecule ID: FYI-1004665 Edit

Molecule Structure InChIKey: KBGFSAQGQOQLPY-JLZUIIAYSA-N

Molecule Structure SMILES String: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CC(c1cncnc1N)COC2)no3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004665
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   12.9970    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4276    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0583    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    9.8000    0.0000 N   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
    3.6373    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1909    1.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1276    2.5710    0.0000 O   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  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
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 26 11  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29  9  2  0  0  0  0
 30  4  2  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004665-3D
FYIcenter.com

 55 57  0  0  1  0  0  0  0  0999 V2000
    1.8621   -0.4060    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4642   -0.5812   -0.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4230   -1.6207   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -1.1155   -0.7170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8930   -1.8320   -0.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8851   -1.1219   -1.4626 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8934   -3.0403   -0.4048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1276   -3.6977   -0.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8346   -5.0222   -0.7535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0019   -5.4020   -1.5763 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9070   -9.5862   -0.6741 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7682   -7.9974    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$