Molecule FYI-1015770

A

Molecule Summary:

ID: FYI-1015770
Names:
InChIKey: GFQFNBZQYRYDNO-ZJUUUORDSA-N
SMILES: CC4(O)CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Received at FYIcenter.com on: 2025-10-10

Molecule ID: FYI-1015770 Edit

Molecule Structure InChIKey: GFQFNBZQYRYDNO-ZJUUUORDSA-N

Molecule Structure SMILES String: CC4(O)CN(c1nc(N)nc2c1ncn2[C@H]3C=C[C@@H](CO)C3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015770
FYIcenter.com

 23 26  0  0  1  0  0  0  0  0999 V2000
   13.8613    4.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4691    4.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6604    3.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9673    3.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2350    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9560    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8234    2.2153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9698    3.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1024    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7330    5.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.5017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    5.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    3.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    3.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8097    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2919    5.8614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  1  0  0  0
 16 15  1  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
 19 15  1  0  0  0  0
 17 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22  8  1  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015770-3D
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
    5.7229   -0.1242    1.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4602   -1.2466    0.7957 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798   -0.1783   -0.2642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1544    1.3970   -0.1156 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0071    1.9414   -0.0840 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -1.7285   -0.3774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9733   -1.0176   -0.3084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3934   -3.2772   -0.4912 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1094    0.0541    0.3797 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2231   -1.1157   -0.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8193    0.9002    0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558    1.5700   -0.0951 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3407    0.8144    1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6941    0.3367    0.5083 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8009   -0.4512   -0.2782 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1580    0.5132   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8713    0.5802   -0.1914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614    1.0253   -1.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4668    0.2209   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4674    0.3516   -0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0794   -1.0375    1.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2259    2.4013   -0.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0205   -1.9294   -0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5160   -1.6040   -1.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0117   -1.8685    0.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4187    1.1081    1.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8393    1.8164   -0.2102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8287    2.6504   -0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4828    1.4741    1.9244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7404   -0.0308    1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4803    1.0656    0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9552   -0.2313   -0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6139    1.4564   -0.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7256    0.6706   -1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343    1.1902   -2.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1434   -0.0879   -1.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3440   -0.8642    1.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9207   -1.0909    2.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5075   -1.8403    0.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5046    3.4428    0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6831   -2.1247    1.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3805   -3.4937   -0.5028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029   -4.0070   -0.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 37  1  0  0  0  0
  2 21  1  0  0  0  0
  2 41  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  4 22  1  0  0  0  0
  5 17  1  0  0  0  0
  5 22  2  0  0  0  0
  6 15  2  0  0  0  0
  6 23  1  0  0  0  0
  7 19  1  0  0  0  0
  7 23  2  0  0  0  0
  8 23  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  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
 13 30  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 31  1  0  0  0  0
 15 17  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-14, 505👍, 0💬