Molecule FYI-1001395

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A

Molecule Summary:

ID: FYI-1001395
SMILES: [H]N(C(=O)OC([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C

Received at FYIcenter.com on: 2022-07-01

Molecule ID: FYI-1001395 Edit

Molecule Structure SMILES String: [H]N(C(=O)OC([H])([H])[H])C1=NC2=C([H])C([H])=C([H])C([H])=C2N1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1001395
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    2.7457    4.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    1.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1654    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694    1.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
 10  2  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
  8  9  2  0  0  0  0
 15 13  1  0  0  0  0
  9 14  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001395-3D
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.4677    0.0860    0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904    0.0876    0.1081 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610   -1.1377   -0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4969   -1.4060   -1.1291 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356   -2.0889    0.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -3.4058    0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -3.6866   -0.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5907   -3.4669    0.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9642   -4.1067    0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7707    1.2530   -0.3265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7904    1.3599   -1.1454 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    2.6899   -1.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1047    3.3266   -1.9453 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7913    2.7369   -2.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2193    4.7170   -1.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0119    5.2209   -2.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3300    5.4573   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4424    6.5385   -1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2980    4.8377   -0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6156    5.4261    0.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2032    3.4429   -0.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    2.5033    0.0939 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2476    2.7773    0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018    3.8410    1.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822    2.2098    1.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3266    2.4757    0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
$$$$

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2022-10-07, 429👍, 0💬