Molecule FYI-1008694

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A

Molecule Summary:

ID: FYI-1008694
Names:
InChIKey: ALMFHIAFDWANJI-UHFFFAOYSA-N
SMILES: CNc1ncnc2ccccc12

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

Molecule ID: FYI-1008694 Edit

Molecule Structure InChIKey: ALMFHIAFDWANJI-UHFFFAOYSA-N

Molecule Structure SMILES String: CNc1ncnc2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1008694
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   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  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  3  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008694-3D
FYIcenter.com

 21 22  0     0  0  0  0  0  0999 V2000
    2.0669   -1.2855   -0.2009 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362    2.0751    0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8419    1.0546   -0.0988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1502   -0.3136   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9146    0.8616    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2302   -0.1446   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658   -1.5772   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2999    0.7327    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1521   -1.6766   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198   -0.5202    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105    2.1057   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891   -1.3120    0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1961   -2.5002   -0.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235    1.6223    0.1565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7622   -2.0525   -0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6317   -2.6506   -0.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0026   -0.5889    0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4704    3.0863   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451   -0.6101   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8167   -2.3133    0.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3891   -1.0668    1.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  2  0  0  0  0
  3  6  2  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
M  END
$$$$

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2024-04-29, 1010👍, 0💬