Molecule FYI-1002620

A

Molecule Summary:

ID: FYI-1002620
Names:
InChIKey: GUWSXPOJHALCHG-UHFFFAOYSA-M
SMILES: COc4cc3ncc2ncn(Cc1ccc(CP(=O)(O)[O-])cc1)c2c3cc4OC

Received at FYIcenter.com on: 2023-04-13

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
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    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
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 10  9  1  0  0  0  0
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 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
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    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
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  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
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  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
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 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
M  END
$$$$

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2023-04-17, 677👍, 0💬