Molecule FYI-1006189

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A

Molecule Summary:

ID: FYI-1006189
Names:
InChIKey: QBBPSPQUOCRSIP-UHFFFAOYSA-N
SMILES: Nc2nc1[o+]cnn1c(N)c2N

Received at FYIcenter.com on: 2023-11-30

Molecule ID: FYI-1006189 Edit

Molecule Structure InChIKey: QBBPSPQUOCRSIP-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2nc1[o+]cnn1c(N)c2N

Download SDF Download SVG Structure in 2D SDF:

FYI-1006189
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.5792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.2674    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.3668    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7917    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
  4  7  1  0  0  0  0
  3 10  1  0  0  0  0
  2 11  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006189-3D
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
    1.1903    0.0218   -0.1095 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5591    0.0733   -0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954   -1.0649   -0.1131 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408   -0.9678   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3882   -2.0452   -0.0923 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.6232   -1.4133   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5760   -0.0847   -0.1231 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2097    0.1622   -0.1325 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6094    1.3952   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4172    2.5208   -0.1481 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2584    1.4318   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4479    2.5611    0.0033 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8035   -0.9100    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894    0.7280    0.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4913   -2.0603   -0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3729    2.3587    0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9965    3.3397    0.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8983    3.4124   -0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5562    2.4256   -0.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
$$$$

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2023-12-17, 1665👍, 0💬