Molecule Editor

Molecule ID: FYI-1015773 Edit

Molecule Structure InChIKey: MALXRGLKOHFCJX-NEPJUHHUSA-N

Molecule Structure SMILES String: CC(C)OC4CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015773
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
   16.0635    5.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8511    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8511    3.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6386    5.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4262    5.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0739    5.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7116    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0639    3.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0743    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0743    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9956    5.5695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6033    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0339    4.4368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6644    4.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6240    5.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7026    3.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950    2.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    4.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2867    0.0000    0.0000 N   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
  8  7  1  0  0  0  0
  8  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 18  1  0  0  0  0
 20 23  1  1  0  0  0
 24 23  1  0  0  0  0
 25 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015773-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
   -4.7140   -0.2515   -0.7896 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8807    1.6434   -0.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5374   -0.4545    1.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360   -1.4394   -0.1537 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2743   -2.2602    0.3506 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9446    1.3134    1.0289 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3440    0.9186    0.2785 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5860    3.0712    0.7950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4282   -0.6685    0.5560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2025   -1.5756    0.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6906    0.3457    1.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1821   -1.4126   -0.5927 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1306   -0.8229    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2201   -0.0683   -0.3108 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2482   -0.0043    0.9469 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4538   -0.5462   -1.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5602    0.1870   -1.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9740   -0.3695    0.2206 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6536    1.2089    0.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9426   -2.5518   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7089    0.7549   -0.9225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3141    1.6874    0.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0920    1.9869   -1.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8684    0.2078   -1.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5700   -1.6193    1.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2938   -0.6770   -1.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5070    3.4143    0.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1440    3.6997    1.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 22  1  0  0  0  0
  2 20  1  0  0  0  0
  2 47  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
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  4 12  1  0  0  0  0
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  9 26  1  0  0  0  0
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 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 14 34  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 18 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 22 40  1  0  0  0  0
 24 41  1  0  0  0  0
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 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
$$$$