Molecule FYI-1008493

A

Molecule Summary:

ID: FYI-1008493
Names:
InChIKey: UGTWWGJYZFZKBQ-MTJSOVHGSA-N
SMILES: CN(C)c4c#cc(/C=N\\Nc3nc(c2nc1ccccc1n2C)cs3)cc4

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008493 Edit

Molecule Structure InChIKey: UGTWWGJYZFZKBQ-MTJSOVHGSA-N

Molecule Structure SMILES String: CN(C)c4c#cc(/C=N\Nc3nc(c2nc1ccccc1n2C)cs3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1008493
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.6603    9.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727    9.0345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0852    9.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727    7.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0852    6.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0852    5.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727    4.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    6.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727    3.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.7345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4478    3.4345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2354    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9565    3.3039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    2.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7197    1.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0891    1.3421    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    2.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9274    3.6223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5580    3.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1463    3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1327    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    1.3695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9817    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  3  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
  9  4  2  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008493-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    3.1913   -4.7292    3.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0567   -3.5371    2.3933 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6873   -3.1887    2.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1348   -2.7370    2.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4727   -3.1523    2.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5013   -2.5953    2.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5796   -1.3461    1.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7505   -0.5292    0.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0335   -0.6525    1.0156 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6294   -1.7721    1.4925 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9896   -1.8207    1.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6860   -2.9362    1.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0405   -2.6724    1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0802   -3.7507    1.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3572   -3.5548    1.9752 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9490   -4.7918    1.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2815   -5.1655    2.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6485   -6.5077    1.9649 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7105   -7.4585    1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3764   -7.1071    1.3264 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0258   -5.7625    1.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8445   -5.0694    1.3860 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5737   -5.6086    0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3625   -1.3502    1.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9520   -0.3960    1.8681 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3642   -0.8101    1.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6153   -4.4728    4.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8336   -5.4666    2.7352 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9472   -3.9117    2.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6055   -3.1609    0.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027   -2.2087    2.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4582    0.4298    0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1913   -2.6699    1.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0076   -4.4219    2.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6752   -6.8097    2.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0199   -8.4933    1.4302 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6532   -7.8550    1.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6840   -6.6508    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2153   -5.0293    0.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8765   -5.5460    1.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3420   -0.9164    2.1023 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2456    0.1778    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1981   -1.1496    0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  2  0  0  0  0
  5  6  3  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 13  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  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
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
$$$$

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