Molecule FYI-1007570

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A

Molecule Summary:

ID: FYI-1007570
Names:
InChIKey: BUVKJPOCMOXSSQ-UHFFFAOYSA-N
SMILES: Brc4cccc(Nc2ncnc3cc1ccccc1cc23)c4

Received at FYIcenter.com on: 2024-03-04

Molecule ID: FYI-1007570 Edit

Molecule Structure InChIKey: BUVKJPOCMOXSSQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc4cccc(Nc2ncnc3cc1ccccc1cc23)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007570
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.8000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    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  1  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21  8  1  0  0  0  0
 21 12  2  0  0  0  0
 22  6  2  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007570-3D
FYIcenter.com

 34 37  0     0  0  0  0  0  0999 V2000
    5.5282   -0.8488    2.2437 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3218    0.6195   -0.5908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645   -2.8168   -0.3199 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1612   -1.7266   -0.6265 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8452   -0.4241   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8684    0.8912    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6083   -0.3069    0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5683   -1.6219   -0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864    0.8200   -0.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9418   -1.5394    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5241   -0.5480   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5303    2.1229    0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9944   -0.2417    0.3824 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6809    0.7465   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9072    2.1696    0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6383    0.9889    0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673   -2.8046   -0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233    0.0165    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4647    1.6108   -1.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6947    0.1456    0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358    1.7400   -0.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4509    1.0073    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9253    1.7506   -0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5156   -2.4643    0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9777    3.0580    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5860   -1.1522    0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115    1.3506   -1.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4080    3.1277    0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7105    1.0244    0.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8474   -3.7703   -0.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.6446    1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0022    2.1895   -1.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4247    2.4106   -1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5204    1.1192    0.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 11  1  0  0  0  0
  2 14  1  0  0  0  0
  2 27  1  0  0  0  0
  3  8  1  0  0  0  0
  3 17  2  0  0  0  0
  4 11  2  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  2  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 19 21  2  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-17, 1522👍, 0💬