Molecule Editor

Molecule ID: FYI-1014094 Edit

Molecule Structure InChIKey: RADIOQMUIHLUJC-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc(c3ncnc(Sc2nc1ccccc1s2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014094
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    7.9531    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    6.8694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.6167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    4.9077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    0.7000    0.0000 C   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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19 11  1  0  0  0  0
 20  9  2  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22 21  2  0  0  0  0
 22  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014094-3D
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    1.3233   -0.6192    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3380   -0.7620    1.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9643   -0.3148    1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3156    0.2766   -0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120    0.6456   -0.4888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6423    0.4223    0.4440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8892    0.6274    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2612    1.0316   -1.1675 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2599    1.2396   -2.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7550    1.3337   -3.7262 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0085    2.8000   -4.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5499    3.7786   -3.5645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0518    4.7970   -4.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4513    6.0009   -3.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9783    6.9235   -4.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0990    6.6769   -6.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7014    5.5010   -6.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656    4.5758   -5.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9304    3.0624   -6.0104 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9713    1.0459   -1.7413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    0.4465   -1.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171   -0.0012   -0.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -0.9904    0.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762   -1.2390    2.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174   -0.4552    1.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6795    0.4123    0.7513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3538    6.1968   -2.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5071    7.8469   -4.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236    7.4006   -6.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8009    5.3041   -7.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4969    0.9166   -2.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7817    0.1206   -1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  2  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  2  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  2  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 18 19  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 32  1  0  0  0  0
M  END
$$$$