Molecule FYI-1001476

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A

Molecule Summary:

ID: FYI-1001476
SMILES: NC=1N=C(F)N=C2N(C=NC12)[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O

Received at FYIcenter.com on: 2022-08-09

Molecule ID: FYI-1001476 Edit

Molecule Structure SMILES String: NC=1N=C(F)N=C2N(C=NC12)[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001476
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
    7.6758    9.5260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7391    8.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3697    8.7766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4328    7.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0635    8.0273    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8654    6.4047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2349    6.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    4.9013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3043    5.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4507    6.5846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1717    7.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    3.6222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    3.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2389    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    1.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    2.2635    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  2  0  0  0  0
  5  4  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  2  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  1  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 14  1  0  0  0  0
 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
 23 12  1  0  0  0  0
 23 24  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001476-3D
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    0.9478    0.1029   -0.0862 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3236    0.1170   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320   -1.0659   -0.5126 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2701   -1.0795   -0.6413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387   -2.2721   -0.8755 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165   -0.0392   -0.5292 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4683    1.1130   -0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9982    2.3607   -0.1364 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9445    3.2282    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7843    2.6055   -0.0064 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    1.2799   -0.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3968    2.7240   -0.0124 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0952    2.3215   -1.1983 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1346    1.3736   -0.8425 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2162    0.2643   -1.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2362    0.9020   -3.1740 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9289    0.2622   -4.4512 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.8223    1.0667   -5.7018 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4546    0.0292   -4.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3556   -1.2123   -4.6449 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8386    0.8960    0.5799 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0117    0.5028    1.2847 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1496    2.1214    1.1790 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3592    1.8603    2.3310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5018   -0.7239   -0.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5007    0.9999   -0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0789    4.2949    0.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4371    3.8192    0.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0806    1.9306   -0.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366   -0.3833   -1.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1077   -0.3540   -1.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9981    0.7558   -4.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3085   -1.4306   -5.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    0.0291    0.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4186    1.2797    1.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9176    2.8362    1.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8413    1.0466    2.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  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
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 28  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  1  0  0  0  0
 14 29  1  1  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  6  0  0  0
 22 35  1  0  0  0  0
 23 24  1  0  0  0  0
 23 36  1  1  0  0  0
 24 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 443👍, 0💬