Molecule FYI-1009283

A

Molecule Summary:

ID: FYI-1009283
Names:
InChIKey: LQEBEXMHBLQMDB-UHFFFAOYSA-N
SMILES: CC4OC(OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(=O)[nH]c(N)nc12)C(O)C3O)C(O)C(O)C4O

Received at FYIcenter.com on: 2024-05-06

Molecule ID: FYI-1009283 Edit

Molecule Structure InChIKey: LQEBEXMHBLQMDB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4OC(OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(=O)[nH]c(N)nc12)C(O)C3O)C(O)C(O)C4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1009283
FYIcenter.com

 38 41  0  0  0  0  0  0  0  0999 V2000
   14.5201    9.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076   10.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076   11.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952   12.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   11.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   10.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    9.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    9.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    8.2871    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.0703    8.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3703    7.0747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    7.5871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    8.2871    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454    9.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5454    9.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    7.5871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    8.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    7.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    8.1565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    7.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    5.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    6.1947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    4.6247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535    4.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    2.9413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923    3.1212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0249    1.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    0.7493    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7819    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3944    1.4987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    9.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703   12.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952   13.8871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5201   12.4871    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
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 18  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  2  0  0  0  0
 33 29  1  0  0  0  0
 34 20  1  0  0  0  0
 35 19  1  0  0  0  0
 36  5  1  0  0  0  0
 37  4  1  0  0  0  0
 38  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009283-3D
FYIcenter.com

 63 66  0  0  1  0  0  0  0  0999 V2000
    5.6961    1.3627   -5.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1528    2.8236   -5.3890 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8861    3.4120   -4.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4967    3.6071   -3.8397 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4094    4.1870   -2.5624 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0598    3.9121   -1.7617 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.7424    2.4768   -1.5115 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3544    4.7486   -0.4349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000    4.7079   -2.5612 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5068    4.5993   -1.5413 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.8496    5.9619   -0.9309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451    5.0633   -2.7996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8863    4.4907   -0.5213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2321    3.1479   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6012    2.2931   -1.4129 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4781    2.2032   -2.3155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0037    2.0245   -3.6568 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3614    0.8771   -4.2586 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600    0.9149   -5.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9697   -0.2680   -5.6436 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -1.1023   -4.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5865   -2.5282   -4.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2873   -3.2708   -5.1872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765   -2.9999   -3.4514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9811   -2.2139   -2.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642   -2.8616   -1.6734 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1211   -0.9233   -2.8025 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913   -0.4234   -3.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5441    2.0345   -3.5781 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.1836    0.7584   -3.5282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7936    2.7550   -2.2581 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8686    4.1555   -2.4796 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9069    4.5823   -4.8735 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5705    5.8639   -4.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0932    4.0056   -6.2715 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5956    4.9276   -7.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5785    3.6928   -6.5220 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7862    3.0741   -7.7895 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0667    0.8297   -4.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0660    0.8571   -6.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6055    1.2686   -5.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2444    2.8069   -5.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9742    2.6451   -3.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993    5.5992   -0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4378    6.0470   -2.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0657    3.1780    0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3689    2.7086    0.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868    1.2709   -1.0602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668    2.9060   -4.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463    1.8262   -5.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0809   -3.9841   -3.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335   -3.8201   -1.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4167   -2.3137   -1.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9582    2.5723   -4.4368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6001    0.1298   -3.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7326    2.4542   -1.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    4.5229   -2.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8477    4.7872   -4.6975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4457    5.7055   -4.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    3.0975   -6.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0461    5.7787   -7.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1283    4.6425   -6.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0193    2.5089   -7.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 42  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  4 43  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 44  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  2  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 52  1  0  0  0  0
 26 53  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 58  1  0  0  0  0
 34 59  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 60  1  0  0  0  0
 36 61  1  0  0  0  0
 37 38  1  0  0  0  0
 37 62  1  0  0  0  0
 38 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 158👍, 0💬