Molecule Editor

Molecule ID: FYI-1014380 Edit

Molecule Structure InChIKey: CHXRQBONNIIEJA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)n6nc(CC1C=Nc3c1nc(c2ccc(O)cc2)nc3N4CCOCC4)c5cncnc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1014380
FYIcenter.com

 35 40  0  0  0  0  0  0  0  0999 V2000
    1.6226    3.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    4.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    5.6819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2256    7.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0930    7.8971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2393    9.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    9.8588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6509    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5045    7.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6606    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7414    5.3909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014380-3D
FYIcenter.com

 61 66  0  0  1  0  0  0  0  0999 V2000
    0.4779   -0.8214   -3.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5766   -0.6025   -4.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9789   -0.2964   -5.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3891    2.3080   -3.2936 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2506    4.6574   -3.1108 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6732    4.4656   -4.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8267    5.4653   -5.3171 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7314    8.3586   -2.6042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6594    9.4646   -1.6041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772    9.2415   -0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$