Molecule Editor

Molecule ID: FYI-1015444 Edit

Molecule Structure InChIKey: UBMHSUGCDIWNQV-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCNC2CN=C(C(=O)Nc1ccc(Cl)cc1O)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015444
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5491    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    2.8000    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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
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 10  9  1  0  0  0  0
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 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015444-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    2.8304    1.2300    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3499    1.2350    0.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9188    0.1884    1.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4473    0.1361    1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0086   -0.8824    2.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5215   -2.2380    1.8423 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0791   -3.2071    2.7798 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5910   -3.0554    4.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1316   -3.2760    4.3993 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6992   -4.2315    3.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -4.6089    3.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9500   -5.6703    3.1091 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9750   -3.8319    4.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3067   -5.0187    3.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$