Molecule FYI-1006968

A

Molecule Summary:

ID: FYI-1006968
Names:
InChIKey: GRSZFWQUAKGDAV-UHFFFAOYSA-N
SMILES: O=c1nc[nH]c2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1006968 Edit

Molecule Structure InChIKey: GRSZFWQUAKGDAV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c1nc[nH]c2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006968
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    2.7043    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    0.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    2.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8369    0.8229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    3.2556    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9273    4.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    4.1770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197    3.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5180    4.4163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7197    1.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5871    1.0740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0891    2.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5217    0.8565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2354    3.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4096    2.8178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9565    4.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4479    4.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.5803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8728    4.2803    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   12.5728    3.0678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0852    4.9803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1728    5.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4585    1.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    0.5046    0.0000 O   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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  1  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 11 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 15 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006968-3D
FYIcenter.com

 36 38  0     1  0  0  0  0  0999 V2000
    4.7152   -1.0731   -0.0124 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3412    1.0707   -1.2200 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2948    3.7880    0.6082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8995    0.4005    1.6485 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6421    0.1381    0.0144 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9164   -1.3731   -1.5887 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448   -2.3366    0.4985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0823   -1.9784    0.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9774   -0.8195    0.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882    1.1609   -0.4177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0915    0.7520   -0.2931 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1176   -1.1134   -0.0191 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8841   -2.7165    0.3142 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466    2.4097    0.7349 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6410    1.9093   -0.5851 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2098    1.5782    0.9142 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5864    1.2312   -0.5212 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4225   -0.0241   -0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416   -0.1601   -0.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634    1.6751   -0.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3850   -0.4013   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8822   -1.7429    0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266   -2.3746    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7440    2.3243    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8659    2.7321   -1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0216    2.1037    1.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1078    2.0847   -0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290   -0.1812   -1.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022   -0.9168   -0.3359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9023    3.8862   -0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6196    0.6767    2.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3509    2.7239   -0.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1212   -0.9473   -0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8365   -3.1324    0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5840   -2.0369   -1.8640 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2983   -3.1913    0.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  2  0  0  0  0
  2 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 14  1  0  0  0  0
  3 30  1  0  0  0  0
  4 16  1  0  0  0  0
  4 31  1  0  0  0  0
  5 18  1  0  0  0  0
  6 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8 22  2  0  0  0  0
 10 15  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 19  1  0  0  0  0
 12 23  1  0  0  0  0
 12 33  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 21  2  0  0  0  0
 20 32  1  0  0  0  0
 21 22  1  0  0  0  0
 23 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1878👍, 0💬