Molecule Editor

Molecule ID: FYI-1001796 Edit

Molecule Structure SMILES String: CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001796
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
    8.0622    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -0.3210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5981   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    0.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690   -2.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4081   -0.5301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4081   -3.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9781   -1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    1.2851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    0.6651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    0.0451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842   -0.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.5110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    0.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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 15 20  1  0  0  0  0
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 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
  4 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  3 33  1  0  0  0  0
 13 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
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 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001796-3D
FYIcenter.com

 50 52  0  0  1  0  0  0  0  0999 V2000
   -3.1589    0.4080    1.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7696   -0.0907    1.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6612    0.6888    1.8512 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5752    0.1241    1.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7130   -1.1251    1.1120 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4234   -1.7711    0.8297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6628   -1.3270    1.0697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796   -3.0061    0.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9161   -3.5338   -0.0394 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5262   -2.9660   -1.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244   -1.8795   -1.8218 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6394   -6.8050    1.3072 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0377   -6.5810    3.6847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2535   -5.4367    3.6964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3342   -4.9762    2.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0668   -5.6269   -1.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4091   -6.8745   -1.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2708   -7.3848   -2.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1610    1.4375    2.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2780   -4.4129    1.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6513    1.8858    2.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3216    1.0510    0.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234    0.3559    2.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$