Molecule FYI-1008374

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A

Molecule Summary:

ID: FYI-1008374
Names:
InChIKey: QZILSYOEHMXZBE-UHFFFAOYSA-N
SMILES: Nc1ncnc2ncccc12

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

Molecule ID: FYI-1008374 Edit

Molecule Structure InChIKey: QZILSYOEHMXZBE-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1ncnc2ncccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008374
FYIcenter.com

 11 12  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  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
 11  2  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008374-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
   -1.6310    1.2713    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6169    1.8270    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312    0.1357   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7439   -2.1423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0061   -0.4618    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3444    0.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.7815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187   -1.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446   -1.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5952    0.3193   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8986    1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8075   -2.4972   -0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1504   -1.7604   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6124    0.6972   -0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    2.1763   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1894   -2.8057    0.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7429   -2.3108   -0.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  2  0  0  0  0
  2  6  2  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  2  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
$$$$

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2024-07-11, 1239👍, 0💬