Molecule FYI-1010204

A

Molecule Summary:

ID: FYI-1010204
Names:
InChIKey: ZKYISKHHPAJHQT-UHFFFAOYSA-N
SMILES: O=C(Nc2nc(c1ccc[nH]1)cs2)c6cn5nc(N4CCC(c3ccncc3)CC4)ccc5n6

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010204 Edit

Molecule Structure InChIKey: ZKYISKHHPAJHQT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2nc(c1ccc[nH]1)cs2)c6cn5nc(N4CCC(c3ccncc3)CC4)ccc5n6

Download SDF Download SVG Structure in 2D SDF:

FYI-1010204
FYIcenter.com

 34 39  0  0  0  0  0  0  0  0999 V2000
    2.4249    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6409    4.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
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  7 12  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010204-3D
FYIcenter.com

 56 61  0  0  0  0  0  0  0  0999 V2000
    2.6666    1.0291   -0.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    0.1875    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923   -0.5237   -0.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1884   -0.3136   -1.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3418    0.3586   -2.1630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8606    0.4111   -2.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9587    1.1375   -4.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0756    1.3821   -4.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1228    1.6958   -4.7569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9091   -0.2403   -2.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0212   -0.1337    1.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594    0.5133    1.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5025   -0.0825    2.8260 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6569   -0.3735    4.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321    0.0201    5.6414 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638   -0.2928    7.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8134    0.9635    7.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4057    0.9660    8.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947   -0.1886    8.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5955   -0.7364    9.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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