Molecule FYI-1007405

A

Molecule Summary:

ID: FYI-1007405
Names:
InChIKey: GYLDXIAOMVERTK-UHFFFAOYSA-N
SMILES: CC(C)n4nc(c2ccc1oc(N)nc1c2)c3c(N)ncnc34

Received at FYIcenter.com on: 2024-02-20

Molecule ID: FYI-1007405 Edit

Molecule Structure InChIKey: GYLDXIAOMVERTK-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)n4nc(c2ccc1oc(N)nc1c2)c3c(N)ncnc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1007405
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    4.6512    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6512    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    8.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    8.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2264    6.6660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    5.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917    9.0027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1222   10.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7299   10.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8222   11.4941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4388    4.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.7431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    2.4116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5714    3.7431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    1.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    1.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042    5.3656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3540    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  3  9  1  0  0  0  0
  2  7  1  0  0  0  0
  8 10  1  0  0  0  0
  6 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 11 15  2  0  0  0  0
 11 12  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
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 12 16  2  0  0  0  0
 16 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007405-3D
FYIcenter.com

 38 41  0     0  0  0  0  0  0999 V2000
   -4.7550   -0.1768   -0.7102 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6684   -1.0380    0.0739 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3854   -1.4022   -0.1073 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088    0.9648    0.3076 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6446    2.9829    0.1807 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2797    2.9235   -0.1361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9783   -0.2388    1.4182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3386   -0.2075    0.9539 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6889   -2.0540    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5923    0.8720   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8485    0.3119    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7351   -0.2347   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6891   -0.2186   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7895   -2.8849   -1.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644   -2.9545    1.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5115    2.2604    0.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5340   -0.2412    0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2070   -0.1804   -1.6563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9188   -0.2244    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3903   -0.1865   -0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5857   -0.1633   -1.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062    2.3001    0.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0264   -0.2096    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6480   -1.5407    0.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8746   -3.4590   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6232   -3.5922   -1.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9583   -2.2405   -1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4012   -2.3600    2.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2911   -3.6638    1.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5366   -3.5306    1.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380   -0.2703    1.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5361   -0.1627   -2.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9963   -0.1335   -2.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6936    2.9091    0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5809    2.4121   -0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2656    3.9342   -0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0676   -0.1831    0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6484   -0.2302    1.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  2  0  0  0  0
  4 22  1  0  0  0  0
  5 16  1  0  0  0  0
  5 22  2  0  0  0  0
  6 16  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  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 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 16  2  0  0  0  0
 12 13  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 21  2  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 168👍, 0💬