Molecule FYI-1005145

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Molecule Summary:

ID: FYI-1005145
Names:
InChIKey: KRZAXDNBFUJYAC-UHFFFAOYSA-N
SMILES: Nc3nc2nc(Cc1ccccc1)nn2c4nc[nH]c34

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005145 Edit

Molecule Structure InChIKey: KRZAXDNBFUJYAC-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3nc2nc(Cc1ccccc1)nn2c4nc[nH]c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005145
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    9.0872    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0872    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8748    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8748    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3308    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1276    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5582    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1658    4.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1993    0.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2876    1.9652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    3.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8403    4.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4643    4.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116    1.7069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3440    0.0831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  2  0  0  0  0
  4  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  3 12  1  0  0  0  0
  2 10  1  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
  1 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005145-3D
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    1.1253    0.1042    0.0883 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4871    0.0811   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1202    1.2320   -0.0485 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5023    1.2422   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3305    2.2690   -0.1192 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5825    1.6894   -0.1491 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8303    2.4953   -0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3119    2.7880   -1.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8950    3.9479   -2.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3746    4.2361   -3.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2715    3.3703   -4.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6880    2.2115   -3.3609 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    1.9218   -2.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5901    0.3484   -0.1411 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727    0.0757   -0.1347 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6097   -1.1596   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1365   -2.4138   -0.1231 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0709   -3.1898   -0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8982   -2.4679   -0.0399 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -1.1456   -0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7310    1.0163   -0.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5986   -0.6681   -0.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5996    1.9537    0.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6409    3.4282    0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    4.6337   -1.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0480    5.1380   -3.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6418    3.5966   -5.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3849    1.5339   -3.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5427    1.0127   -1.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0793   -4.2724   -0.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673   -2.8580    0.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 2119👍, 0💬