Molecule FYI-1008771

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A

Molecule Summary:

ID: FYI-1008771
Names:
InChIKey: CJAIYRAOZOXQGX-UHFFFAOYSA-N
SMILES: Cc2nc(c1ccccc1N)[nH]c2C

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

Molecule ID: FYI-1008771 Edit

Molecule Structure InChIKey: CJAIYRAOZOXQGX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2nc(c1ccccc1N)[nH]c2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008771
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    5.2594    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4769    7.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    5.0494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    4.1280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    1.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008771-3D
FYIcenter.com

 27 28  0     0  0  0  0  0  0999 V2000
    1.2687   -1.1443    0.2889 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    0.9769   -0.3637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773    2.2089    0.4973 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4787   -0.0817   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5691   -0.7375    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9647   -0.1670   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967    0.5748   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7563    0.9500    0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7018   -1.6289    0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5634   -1.3970   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5993    1.5117   -0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1466    0.8370    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9537   -1.5101   -0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7451   -0.3929   -0.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9599   -2.0623    0.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968   -1.7850    1.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5663   -2.6051    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6447   -1.2092    0.1159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803   -2.2857   -0.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2037    1.1640   -1.3293 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2193    2.5085   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2492    1.6056    0.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7760    1.6991    0.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4204   -2.4667   -0.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8277   -0.4809   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7749    3.0026    0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742    2.3271    0.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 15  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 14  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
$$$$

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2024-04-29, 982👍, 0💬