Molecule FYI-1010227

A

Molecule Summary:

ID: FYI-1010227
Names:
InChIKey: YVNDOYPTDQZFTI-UHFFFAOYSA-M
SMILES: O=C(Nc2nc(c1ccc[nH]1)cs2)c4cn3nc(O[Li])ccc3n4

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010227 Edit

Molecule Structure InChIKey: YVNDOYPTDQZFTI-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C(Nc2nc(c1ccc[nH]1)cs2)c4cn3nc(O[Li])ccc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1010227
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    9.4611    9.1041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    8.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    7.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161    6.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5487    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8487    3.6373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8487    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5487    0.0000    0.0000 Li  0  0  0  0  0  0  0  0  0  0  0  0
    8.9487    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6487    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9487    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    6.1812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    9.1041    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8238    8.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    8.9736    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    7.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    8.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    9.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    9.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    7.0391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081    6.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6775    7.0118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  2  0  0  0  0
 12  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  3  1  0  0  0  0
 14  2  1  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  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22 18  1  0  0  0  0
 23 17  2  0  0  0  0
 24 23  1  0  0  0  0
 24 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010227-3D
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    0.9684   -0.0207   -0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1881   -0.0890   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8715   -1.0255   -0.7979 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529   -1.9684   -1.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680   -1.9026   -2.0843 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6486   -2.9490   -2.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6834   -3.0749   -3.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7031   -2.1453   -3.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7524   -2.6437   -4.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356   -3.8560   -4.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773   -4.1130   -4.2840 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6831   -3.8608   -3.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423   -3.3163   -2.2824 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9112    0.8229    0.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3266    1.6798    1.7564 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3328    2.3031    2.3801 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762    3.2063    3.3564 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4409    3.7164    3.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4066    4.6218    4.8435 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    5.2996    5.5278 Li  0  0  0  0  0  0  0  0  0  0  0  0
    5.6752    3.2873    3.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6982    2.3334    2.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728    1.8518    1.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2635    0.9299    0.8881 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8923   -1.1006   -0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6849   -1.2056   -2.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7139   -2.1740   -4.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9184   -4.5121   -5.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240   -4.9622   -4.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6413   -4.7552   -3.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2726    1.8211    1.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6038    3.6926    3.7031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6317    1.9866    1.8674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 32  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$

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