Molecule FYI-1007533

A

Molecule Summary:

ID: FYI-1007533
Names:
InChIKey: LXZYPSIYGAWPBV-UHFFFAOYSA-N
SMILES: Nc4c(S(=O)(=O)c1cccs1)c3nc2ccccc2nc3n4Cc5ccoc5

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007533 Edit

Molecule Structure InChIKey: LXZYPSIYGAWPBV-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4c(S(=O)(=O)c1cccs1)c3nc2ccccc2nc3n4Cc5ccoc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1007533
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
    6.2107    8.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9196    6.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870    5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502    3.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2828    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7786    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1481    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0849    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6522    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5890    3.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1564    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8564    5.9562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    6.1026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8181    7.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1875    7.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3339    9.0650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0549    9.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1181    8.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1281    8.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7281    8.3396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    6.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    6.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    5.0349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  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
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 16  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  2  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007533-3D
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
    1.0343    1.1398   -0.8078 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8990    0.6467    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5817    0.0348    1.3523 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2518   -1.5595    1.5643 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5994   -1.9799    0.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860   -1.4117    2.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251   -2.8737    2.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5200   -4.2295    2.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202   -5.0170    2.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785   -4.2316    2.8522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3704   -2.5606    2.5854 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6886    1.1632    2.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1038    1.5418    3.4479 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522    2.8566    3.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876    3.4840    4.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735    4.8492    5.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689    5.6201    4.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4646    5.0252    3.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2623    3.6999    3.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9275    3.2782    2.0268 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5437    2.0657    1.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9902    1.4348    0.4939 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4031    1.0353    0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2487    2.1431   -0.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3797    3.5251   -1.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4589    4.0419   -0.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794    3.1969    0.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283    0.4311   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2197    1.6192   -0.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868   -4.6290    1.8598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -6.0978    2.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4790    0.1422   -0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7111    0.7574    1.4546 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4705    1.7128   -2.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8580    4.1038   -2.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348    3.4893    1.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 28  2  0  0  0  0
 25 26  2  0  0  0  0
 25 40  1  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  1  0  0  0  0
 28 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 1028👍, 0💬