Molecule FYI-1004013

Home > Molecule

A

Molecule Summary:

ID: FYI-1004013
Names:
InChIKey: QBLWWQDTKCIRSW-UHFFFAOYSA-N
SMILES: Sc2nnc(c1cccnc1)o2

Received at FYIcenter.com on: 2023-08-08

Molecule ID: FYI-1004013 Edit

Molecule Structure InChIKey: QBLWWQDTKCIRSW-UHFFFAOYSA-N

Molecule Structure SMILES String: Sc2nnc(c1cccnc1)o2

Download SDF Download SVG Structure in 2D SDF:

FYI-1004013
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    5.2594    6.2203    0.0000 S   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 N   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 O   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 N   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
  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
  6  2  1  0  0  0  0
  7  5  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  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004013-3D
FYIcenter.com

 17 18  0     0  0  0  0  0  0999 V2000
    4.0186    1.2370    0.0002 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    0.7500   -0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3071   -1.4963    0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6069   -1.1056    0.0012 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5888    1.4451    0.0008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7581   -0.1342   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6750   -0.3724   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6608   -1.1918   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2685    1.1540   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0269   -0.9325    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981    0.2554    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358    0.3913    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3199   -2.2236   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322    2.0334   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510   -1.7916    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7489   -1.7411    0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4904    0.6468    0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4 11  1  0  0  0  0
  4 15  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-17, 2811👍, 0💬