Molecule FYI-1007645

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A

Molecule Summary:

ID: FYI-1007645
Names:
InChIKey: ZNGLPVLHOBXDJY-UHFFFAOYSA-N
SMILES: Cn1cnc2c1c(=O)n(C)[n+](=O)n2C

Received at FYIcenter.com on: 2024-03-07

Molecule ID: FYI-1007645 Edit

Molecule Structure InChIKey: ZNGLPVLHOBXDJY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1cnc2c1c(=O)n(C)[n+](=O)n2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1007645
FYIcenter.com

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.5302    6.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3177    5.3868    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388    5.9562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1019    4.9159    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    2.9540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775    3.2451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.6226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6123    0.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3061    1.3315    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.8735    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0808    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
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007645-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.1719   -0.1027    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6105   -0.0469   -0.0035 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4700   -1.1124   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7324   -0.7265   -0.0857 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6568    0.6312   -0.1176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3788    1.0871   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0231    2.4538    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8546    2.8148    0.3535 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0946    3.3250    0.2515 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0244    4.4759    1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3695    2.8838   -0.0564 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.2677    3.7092   -0.1486 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6732    1.5033   -0.1947 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0259    1.0925    0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473   -1.1464    0.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008    0.3893   -0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8043    0.4068    0.9047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303   -2.1394    0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    4.6133    1.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3535    5.3754    0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6916    4.2784    1.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7511    1.9053   -0.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3526    0.2676   -0.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871    0.7770    1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 185👍, 0💬