Molecule FYI-1007319

A

Molecule Summary:

ID: FYI-1007319
Names:
InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-K
SMILES: Nc1ncnc2c1ncn2C3OC(COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])C(O)C3O

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007319 Edit

Molecule Structure InChIKey: ZKHQWZAMYRWXGA-UHFFFAOYSA-K

Molecule Structure SMILES String: Nc1ncnc2c1ncn2C3OC(COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007319
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   14.0182    5.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2973    4.9232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4435    3.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3109    2.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0320    3.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8856    4.6698    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    2.2370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7952    1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1646    1.3156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    1.3430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.2124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    4.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.3124    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.3124    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.5248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.1000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.5930    4.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    4.8748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7225    2.9615    0.0000 N   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  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 25  1  0  0  0  0
 29 12  1  0  0  0  0
 30 11  1  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007319-3D
FYIcenter.com

 44 46  0     1  0  0  0  0  0999 V2000
    4.3604    0.2502   -0.2602 P   0  0  2  0  0  0  0  0  0  0  0  0
    2.4697   -1.9209   -1.0471 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.6856   -2.5818    1.2206 P   0  0  1  0  0  0  0  0  0  0  0  0
    0.5476    1.1020    0.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1307    2.8983   -1.9343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4242    3.8773    1.4614 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3633    1.1255    0.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2578   -0.4999   -1.2042 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0636   -0.7965    0.5770 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.1563    1.2094   -1.1183 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6979   -1.6356    0.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418   -2.0355   -2.1508 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4939   -3.0112   -0.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -1.5575    2.4557 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5915   -2.7777    0.4344 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4581   -3.7661    1.7573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302    0.7685    0.2254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3906    0.2982    1.6366 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715   -0.1113   -1.8339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8880   -1.0619   -1.4599 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9304   -1.0825    0.6941 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4680    2.7429   -0.6512 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3976    3.4284    0.3865 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4386    1.2676   -0.2514 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3000    2.3197    0.9105 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5957    2.1712    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6985    0.1582   -0.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1919    0.8290    1.5135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7193   -0.1250    0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8463   -0.7590   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8138   -0.7242   -2.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852    3.1450   -0.7099 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9642    4.2869    0.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1430    0.6214   -1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5275    2.4391    1.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1845    3.0927    0.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937    1.9358   -0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1324    3.8483   -2.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226    4.5564    1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207    1.2696    2.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8814   -0.9816   -3.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9020   -0.8570    1.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7384   -1.5425    0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2433   -1.8416    3.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  2  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  2  0  0  0  0
  3 11  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  2  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 22  1  0  0  0  0
  5 38  1  0  0  0  0
  6 23  1  0  0  0  0
  6 39  1  0  0  0  0
  7 26  1  0  0  0  0
 14 44  1  0  0  0  0
 17 24  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 28  2  0  0  0  0
 18 29  1  0  0  0  0
 19 27  2  0  0  0  0
 19 31  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  2  0  0  0  0
 21 30  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 32  1  0  0  0  0
 23 25  1  0  0  0  0
 23 33  1  0  0  0  0
 24 34  1  0  0  0  0
 25 26  1  0  0  0  0
 25 35  1  0  0  0  0
 26 36  1  0  0  0  0
 26 37  1  0  0  0  0
 27 29  1  0  0  0  0
 28 40  1  0  0  0  0
 29 30  2  0  0  0  0
 31 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-07, 175👍, 0💬