Molecule FYI-1005148

Home > Molecule

A

Molecule Summary:

ID: FYI-1005148
Names:
InChIKey: GGYSMOXPPULTET-UHFFFAOYSA-N
SMILES: Nc3nc2nc(SCc1ccccc1)nn2c4nc[nH]c34

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

Molecule ID: FYI-1005148 Edit

Molecule Structure InChIKey: GGYSMOXPPULTET-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3nc2nc(SCc1ccccc1)nn2c4nc[nH]c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005148
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
   10.8792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9197    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3502    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9579    4.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0917    0.0000    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  1  0  0  0  0
  8  9  2  0  0  0  0
  3  9  1  0  0  0  0
  2  7  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  5 12  2  0  0  0  0
  4 10  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
  1 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005148-3D
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.0915    0.0994    0.0946 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553    0.0713    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038    1.2176    0.0357 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4903    1.2178    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3397    2.2335    0.0315 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5713    1.6280   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1004    2.4649   -0.1314 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8006    4.0008    0.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0715    4.8251    0.9092 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4279    5.7565   -0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6074    6.5026    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4480    6.3235    1.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1121    5.3961    2.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9341    4.6498    2.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5583    0.2945   -0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2430    0.0403   -0.0265 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5665   -1.1884   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0815   -2.4456   -0.0799 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0105   -3.2147   -0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8441   -2.4851   -0.0259 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1969   -1.1637   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    1.0074   -0.1101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5569   -0.6871   -0.2456 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4162    3.7730    1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0339    4.5948    0.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940    5.9062   -0.9476 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8746    7.2200   -0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3656    6.9003    1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7712    5.2480    2.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6979    3.9225    2.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0101   -4.2977   -0.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065   -2.8690   -0.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1202👍, 0💬