Molecule Editor

Molecule ID: FYI-1015777 Edit

Molecule Structure InChIKey: UWXJJLLHGHAIES-PWSUYJOCSA-N

Molecule Structure SMILES String: CC(C)(O)C4CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015777
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
   13.1785    6.5772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7480    5.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0269    5.8677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4690    4.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602    3.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9673    3.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2349    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9560    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8234    2.2153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9697    3.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1023    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7330    5.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    3.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    3.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8096    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3174    4.0193    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  1  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  1  0  0  0
 23 22  1  0  0  0  0
 24 10  1  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015777-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
    5.2511    0.2966    1.7737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0713   -1.0425    0.9771 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5642   -0.3819   -0.3807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6981    1.3636   -0.1677 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891   -1.8633   -0.3916 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4824    1.8253   -0.2135 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6134   -1.0612   -0.2833 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1241   -3.3462   -0.4049 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835   -0.0700   -0.5079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3341    0.8155   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6664   -1.2511   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1800   -0.6013   -0.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4183    1.5397    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7692   -0.9200    0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1908    1.5948   -0.1122 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.0583    0.1593   -0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9505    1.0383   -1.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0710    0.4188   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6571   -2.0126   -0.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1370    1.4840   -1.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7155    2.3743    0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1186   -3.5248   -0.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4578   -4.1040   -0.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
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 10 27  1  0  0  0  0
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 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
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 13 19  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 22  1  0  0  0  0
 18 24  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 21 22  2  0  0  0  0
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 22 43  1  0  0  0  0
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 24 46  1  0  0  0  0
M  END
$$$$