Molecule Editor

Molecule ID: FYI-1006268 Edit

Molecule Structure InChIKey: JEFPWOBULVSOTM-PPHPATTJSA-N

Molecule Structure SMILES String: O=S(=O)(O)CCO.CCOC(=O)Nc3cc2N[C@@H](C)C(c1ccccc1)=Nc2c(N)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006268
FYIcenter.com

 56 57  0  0  1  0  0  0  0  0999 V2000
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    9.6438    2.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0923    1.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3104    3.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9773    3.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4258    0.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7589    0.6542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485    1.1307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1357   12.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9409   10.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.3894    9.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9409    7.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3894    8.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2387   12.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414   12.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006268-3D
FYIcenter.com

 56 57  0  0  1  0  0  0  0  0999 V2000
    1.0551    1.2476   -2.0859 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436    1.0109   -1.4797 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5101    1.7979   -1.8057 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4568   -1.4123    3.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686   -2.0420    2.4713 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6114   -1.8584    2.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5965   -5.1441    1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4804   -4.0770    1.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3602   -5.5735    1.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2849   -3.4872    1.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$