Molecule Editor

Molecule ID: FYI-1002620 Edit

Molecule Structure InChIKey: GUWSXPOJHALCHG-UHFFFAOYSA-M

Molecule Structure SMILES String: COc4cc3ncc2ncn(Cc1ccc(CP(=O)(O)[O-])cc1)c2c3cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002620
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    1.5157   11.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157   12.5540    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.0033   13.2540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157   13.7664    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4281   11.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281   10.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    9.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    9.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    8.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    7.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    6.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    5.5540    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    6.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    3.1213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    1.7898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    1.4987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    2.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104    0.7494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8798    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1859    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3124    2.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6818    2.6630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1144    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    3.4124    0.0000 C   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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  6  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  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
 17 16  2  0  0  0  0
 17 13  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  2  0  0  0  0
 29 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002620-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    3.5811   -0.9914    0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6504    0.0960    0.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1771    1.2820   -0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1471    1.2856   -1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8343    2.4321   -1.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8524    2.2752   -2.4523 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6303    3.3414   -2.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3394    4.6104   -2.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0270    5.7799   -2.4246 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3756    6.6643   -1.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786    6.1140   -1.0923 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3665    6.8775   -0.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8121    6.9287    1.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4486    8.0187    1.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    8.1406    3.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8103    7.1693    3.8343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3639    7.2908    5.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2891    6.4983    6.5024 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.2843    7.1111    7.5138 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2301    7.7397    6.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2731    5.7490    7.6853 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.0759    6.0283    3.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5793    5.9091    1.7858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2428    4.7656   -1.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4518    3.6454   -1.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    3.6722   -0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7580    2.4956    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    2.7502    1.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0754    1.6807    1.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5071   -1.4636    1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6361   -0.7087    0.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3024   -1.7266   -0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4314    0.3614   -1.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4784    3.1616   -3.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6796    7.6925   -1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3561    6.4820   -0.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3525    7.8936   -0.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7741    8.7875    1.6266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6492    8.9911    3.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5571    8.3522    5.4609 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439    6.7947    5.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6133    8.5128    6.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6766    5.2212    3.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8269    5.0005    1.2459 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0877    4.5906    0.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    2.1041    2.6590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7369    0.9497    2.3400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4067    1.2197    1.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  2  0  0  0  0
 14 15  2  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
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 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
$$$$