Molecule Editor

Molecule ID: FYI-1002590 Edit

Molecule Structure InChIKey: OZUCOMVUVKRLHY-UHFFFAOYSA-N

Molecule Structure SMILES String: c6ccc(c2nc1ccccc1n2Cc5nc4c3CCCc3ncn4n5)nc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002590
FYIcenter.com

 28 33  0  0  0  0  0  0  0  0999 V2000
    9.2679    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8985    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4659    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4027    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7721    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2047    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4721    3.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5353    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2564    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0439    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8315    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5525    4.6248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.1595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.1595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6851    2.6630    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8264    5.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1578    6.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4489    7.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4085    8.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0770    8.3003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    6.9309    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  1  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
 13 12  2  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
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19 11  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 14  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002590-3D
FYIcenter.com

 45 50  0     0  0  0  0  0  0999 V2000
    2.3438   -1.0028    0.8997 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167    0.4440    0.6661 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500   -1.4322    0.2861 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0978    0.7657    0.5728 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841   -1.3464    1.4743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2202    0.5347   -1.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2463   -2.2102   -0.6113 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245    1.9681   -0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4778    0.6885   -0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1193    1.6120   -1.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7129    0.4073   -0.9479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183   -0.1678   -0.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904    0.2569    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9287   -0.1195    1.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4623   -0.2428    1.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4533   -1.8324    0.8624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0844    1.7763    0.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5180   -0.2567   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    1.8066   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6472    2.9224    1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4757   -1.6983   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431    3.0454   -1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1356    4.1466    0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0176    4.2093   -0.4027 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2510   -4.4092   -0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0494    2.2876   -1.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9895    2.7637   -0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8899    1.3348   -2.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8164    2.4554   -1.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4631    0.7184   -0.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5924   -2.0165   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3741   -4.4803   -0.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703   -3.9453   -0.8995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -5.4827   -0.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3 12  1  0  0  0  0
  3 16  2  0  0  0  0
  4 13  2  0  0  0  0
  4 15  1  0  0  0  0
  5 15  2  0  0  0  0
  6 18  2  0  0  0  0
  6 19  1  0  0  0  0
  7 21  1  0  0  0  0
  7 27  2  0  0  0  0
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  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 12  2  0  0  0  0
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 14 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 23  1  0  0  0  0
 20 38  1  0  0  0  0
 21 25  2  0  0  0  0
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 22 39  1  0  0  0  0
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 23 40  1  0  0  0  0
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 25 26  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
$$$$