Molecule FYI-1005149

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Molecule Summary:

ID: FYI-1005149
Names:
InChIKey: HUXNVYVDIIFASZ-UHFFFAOYSA-N
SMILES: NC4Nc2nc(Sc1ccccc1)nn2c3nc[nH]c34

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

Molecule ID: FYI-1005149 Edit

Molecule Structure InChIKey: HUXNVYVDIIFASZ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC4Nc2nc(Sc1ccccc1)nn2c3nc[nH]c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005149
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.7792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8197    3.0368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2502    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    4.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9917    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.6124    0.0000 C   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  1  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
  1 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
 14 20  1  0  0  0  0
 14 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005149-3D
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
    1.1145   -0.1336    0.1146 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333    0.1387    0.1536 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9140    1.2616    1.0084 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9054    2.5283    0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7636    3.6767    1.0941 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8255    4.5801    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812    6.2765    0.2601 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7562    6.8953    1.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0343    6.3336    1.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0150    6.9253    2.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7309    8.0882    2.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4624    8.6567    2.8689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4824    8.0627    2.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0688    4.0725   -1.1556 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0728    2.7531   -0.8918 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1960    1.6472   -1.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5183    1.6309   -3.0806 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253    0.3425   -3.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2026   -0.4497   -2.2961 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9699    0.3912   -1.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740   -0.2525    1.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9247   -0.9919   -0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0468   -0.7537    0.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.1931    1.9688 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2938    5.4403    0.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0059    6.4825    2.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4995    8.5552    3.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376    9.5680    3.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5013    8.5304    2.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7539   -0.0782   -4.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414   -1.4595   -2.3032 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  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  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
  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, 1608👍, 0💬