Molecule Editor

Molecule ID: FYI-1005041 Edit

Molecule Structure InChIKey: UKYJDWQKFQDRRX-DYESRHJHSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]5C=C4c1cccc2c1c(cn2C(=O)c3cccs3)C[C@H]4N(C)C5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005041
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
   11.0378    3.4219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6403    3.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9416    4.6321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    5.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    6.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    8.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2613    8.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510    8.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8409    8.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8409   10.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0510   11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2613   10.3374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6307   11.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6307   12.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9244    5.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0705    4.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3471    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5519    4.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9416    2.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5519    2.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2613    0.6987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5100    0.9350    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
  7 12  1  6  0  0  0
 13 12  1  0  0  0  0
 10 14  1  1  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21  8  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25  3  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 26  5  1  0  0  0  0
 27  2  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005041-3D
FYIcenter.com

 58 62  0  0  1  0  0  0  0  0999 V2000
    1.7965    0.2955   -0.1891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5549   -0.6450    0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8988   -1.9300    0.1098 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777   -2.9530   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6454   -2.8740    0.7891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0983   -1.9728   -0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7736   -0.9428   -0.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825   -3.3391   -1.2025 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9216   -4.3244   -0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   -4.3354    0.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5301   -4.7805    1.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1454   -5.8880    2.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3513   -5.8941    4.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8287   -4.7614    4.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2401   -3.6718    3.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2157   -3.7663    2.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9376   -2.6677    1.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9960   -1.7390    3.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5613   -2.3378    4.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636   -1.6769    5.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5165   -2.3683    6.4528 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0904    0.3997    4.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8374    1.7421    5.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$