Molecule FYI-1010207

A

Molecule Summary:

ID: FYI-1010207
Names:
InChIKey: UUWIBPIQTMQZCC-UHFFFAOYSA-N
SMILES: O=C(Nc2nc(c1ccc[nH]1)cs2)c6cc5nc(N3CC4CC3CO4)ccn5n6

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

Molecule ID: FYI-1010207 Edit

Molecule Structure InChIKey: UUWIBPIQTMQZCC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2nc(c1ccc[nH]1)cs2)c6cc5nc(N3CC4CC3CO4)ccn5n6

Download SDF Download SVG Structure in 2D SDF:

FYI-1010207
FYIcenter.com

 29 34  0  0  0  0  0  0  0  0999 V2000
    9.6432    3.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3392    2.3033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3392    4.7146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7314    2.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5497    1.1770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.8737    1.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8737    2.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5497    3.4296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    3.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3240    3.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1423    4.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3240    5.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000    5.2099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2394    3.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790    2.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4141    2.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    4.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6476    4.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6475    2.8075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631    2.1055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317    2.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2157    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4316    0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3088    1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0774    4.2160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4888    4.6909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  4  8  2  0  0  0  0
  4  5  1  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
  1 14  1  0  0  0  0
 15 16  2  0  0  0  0
 14 16  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 21 22  1  0  0  0  0
 23 27  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  0  0  0  0
 14 29  2  0  0  0  0
 28 29  1  0  0  0  0
 28 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010207-3D
FYIcenter.com

 46 51  0  0  1  0  0  0  0  0999 V2000
    1.0199   -0.2226    0.1433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    0.1395   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8518    0.0535   -1.2589 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2815   -0.4853   -2.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.7709   -2.6171 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173   -1.3730   -3.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066   -1.7883   -4.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -2.4680   -5.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0979   -2.6024   -5.6439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6333   -2.0003   -4.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973   -1.5252   -3.7642 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076   -1.5396   -4.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3907   -0.8500   -3.6251 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9940    0.6813    1.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6563    0.6270    2.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6697    1.2670    3.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8647    1.5124    4.4062 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8781    2.2727    4.7587 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    2.5413    6.0967 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1376    3.3296    6.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8447    3.0989    8.2226 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3273    3.0301    8.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    1.9182    7.2026 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2373    0.9039    7.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2367    1.7394    8.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8191    2.8581    3.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6131    2.5337    2.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5412    1.7243    2.0934 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    1.3019    0.8451 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    0.2880   -1.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7776    0.1778    2.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3150    3.8182    8.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3239    1.5385    6.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    0.2235    7.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7185    0.3325    8.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6211    3.5067    4.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2328    2.8899    1.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
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  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 29  2  0  0  0  0
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 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 26  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
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 26 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
$$$$

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