Molecule FYI-1013903

A

Molecule Summary:

ID: FYI-1013903
Names:
InChIKey: RSMUVYRMZCOLBH-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2

Received at FYIcenter.com on: 2025-02-11

Molecule ID: FYI-1013903 Edit

Molecule Structure InChIKey: RSMUVYRMZCOLBH-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013903
FYIcenter.com

 26 27  0  0  0  0  0  0  0  0999 V2000
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    6.1124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  2  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013903-3D
FYIcenter.com

 41 42  0     0  0  0  0  0  0999 V2000
    2.3898    0.0007    1.8155 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1844   -1.0370    2.8151 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3750    1.0455    2.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9728    2.0071   -1.1087 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858    2.1086   -0.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3240   -1.1876    0.9470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5340   -2.2250   -0.4893 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8827    0.7322    1.4564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3300    0.9103    0.7485 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4539    1.6405    0.1000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9123   -0.6969    0.1338 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1021    0.0175   -0.5383 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846   -0.7585    0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1307   -0.0011   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -2.1504    0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400   -0.6355   -2.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   -2.7849   -0.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034   -2.0274   -2.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1798    1.4543   -0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2964    0.0342    1.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362    0.6012    0.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6743    1.2717   -0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1676   -0.9143   -0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943    3.4365   -1.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6543    2.3665   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434   -3.2082   -0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798   -2.7684    1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8619    1.7596    1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7110   -0.0565   -2.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0280   -3.8686   -1.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6440   -2.5214   -3.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1475    1.9029    0.8683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6179    2.1274   -0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7997    2.4925   -1.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3041    3.3161   -0.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5861    3.8577   -1.8326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1140    3.8178   -0.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8743    3.7230   -1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9808   -4.1903   -0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6782   -3.0828   -0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2374   -3.1876    0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  4 19  1  0  0  0  0
  4 24  1  0  0  0  0
  5 19  2  0  0  0  0
  6 20  2  0  0  0  0
  7 23  1  0  0  0  0
  7 26  1  0  0  0  0
  8 20  1  0  0  0  0
  8 28  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 32  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  2  0  0  0  0
 11 21  2  0  0  0  0
 11 23  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 22 25  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 33  1  0  0  0  0
 25 34  1  0  0  0  0
 25 35  1  0  0  0  0
 26 39  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1107👍, 0💬