Molecule Editor

Molecule ID: FYI-1006423 Edit

Molecule Structure InChIKey: VZPPTFKEWNQSCG-BHGWPJFGSA-N

Molecule Structure SMILES String: COc3cc(/C=N/c1sc(C)c(C)c1C(=O)NCc2ccco2)cc(OC)c3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006423
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    3.2451    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    0.9367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437    4.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122    5.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    4.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    4.5407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    1.8019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2886    8.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5798    9.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0097    7.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7973    8.1456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849    7.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7973    9.5456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849   10.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849   11.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4521   12.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8849   13.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2849   13.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7175   12.4685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  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
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  2  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 21 15  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 30 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006423-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    2.0261   -0.9570    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8440    0.1986   -0.0317 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1932    0.8990    1.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    0.5861    2.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1731    1.2293    3.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572    0.7637    4.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385   -0.2271    4.9785 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5898   -0.6401    6.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5202    0.4483    7.5766 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0167   -0.7447    8.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8018   -0.3899   10.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253   -1.9644    8.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3196   -3.1914    8.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606   -1.9146    6.6248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339   -3.0851    5.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6189   -4.1678    6.1370 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2785   -3.9988    3.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6156   -4.3247    2.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7869   -4.7814    3.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7071   -4.9548    2.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0434   -4.5865    1.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5566    3.5837    1.9328 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9670    1.2302   -1.7881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
$$$$