Molecule Editor

Molecule ID: FYI-1005611 Edit

Molecule Structure InChIKey: VYKCLMALANGCDF-STQMWFEESA-N

Molecule Structure SMILES String: CCC(CC)c3cc(N[C@H]1CC[C@H](N)C1)n2nccc2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005611
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    7.0193    5.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2175    8.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9019    9.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3881    6.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725    7.1702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0001    6.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    6.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8019    3.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2781    3.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6313    5.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 20 15  1  0  0  0  0
 21 13  2  0  0  0  0
 21  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005611-3D
FYIcenter.com

 46 48  0     1  0  0  0  0  0999 V2000
    1.5512    0.9453    0.1825 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457   -1.6605    0.8725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6710    1.7517    0.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6032    0.3138   -0.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3637    3.0799    0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695   -0.0716    0.2711 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8836    0.5112    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   -0.3824    0.1698 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.4200   -0.5788   -1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$