Molecule FYI-1006187

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A

Molecule Summary:

ID: FYI-1006187
Names:
InChIKey: ZUTOAPFLUOBVJH-UHFFFAOYSA-N
SMILES: Nc2cc1[o+]cnn1c(N)c2N

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

Molecule ID: FYI-1006187 Edit

Molecule Structure InChIKey: ZUTOAPFLUOBVJH-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2cc1[o+]cnn1c(N)c2N

Download SDF Download SVG Structure in 2D SDF:

FYI-1006187
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    2.1544    0.7000    0.0000 C   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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    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
    2.1817    2.1957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  1  4  2  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  1  5  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12  8  1  0  0  0  0
 12  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006187-3D
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.1199   -0.0455   -0.1912 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910   -0.0474   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1875   -1.2018   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5952   -1.1270   -0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4829   -2.1741   -0.0162 O   0  3  0  0  0  0  0  0  0  0  0  0
    6.6959   -1.5000   -0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5984   -0.1751   -0.1192 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2239    0.0293   -0.1076 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5895    1.2558   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3833    2.3878   -0.2151 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2287    1.2542   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666    2.4149    0.1104 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6420   -0.9214    0.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6220    0.7529    0.1929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -2.1737   -0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5866   -2.1156   -0.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3470    2.2620    0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9571    3.2368    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9210    3.2656   -0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5362    2.3383   -0.2915 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
  3 15  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 16  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 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
M  END
$$$$

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2023-12-17, 1248👍, 0💬