Molecule Editor

Molecule ID: FYI-1005071 Edit

Molecule Structure InChIKey: OUSFTKFNBAZUKL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c3cnc(CSc2cnc(NC(=O)C1CCNCC1)s2)o3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005071
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   13.4004    9.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2540    7.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6464    7.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1077    6.5778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8617    8.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1617    9.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7923    9.0379    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6460    7.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9249    7.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    6.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2211    7.6456    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.0087    6.9456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7297    7.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    6.4746    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    5.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8623    5.5532    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    3.9832    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7083    4.9695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.4253    0.0000 C   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  2  1  0  0  0  0
  5  2  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
  9  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005071-3D
FYIcenter.com

 49 51  0     0  0  0  0  0  0999 V2000
    0.6724    1.9934   -1.3652 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4352    2.8645   -0.4285 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0292    1.2332    1.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9225   -0.3750    0.5823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0091   -1.9358    0.0310 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7723    1.3823   -0.6432 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6372   -0.4413   -0.8910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951    2.0015    1.0700 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0616    0.7327   -0.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7230   -0.5223   -1.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3185    0.5170    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7392   -1.7868   -0.6790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2677   -0.7912    0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9013    1.1442    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8137   -2.5042    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8843   -1.5764   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2336   -4.0121    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5108   -2.3100   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3072   -2.4047    1.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5215    1.7827   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9262   -1.6124   -0.9514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9930    0.2187    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974    1.5949    0.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7713    2.4304   -0.1231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1337    2.3767    1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2500    1.5637   -1.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4782   -0.6339   -2.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7614   -0.4606   -2.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4882    1.3566    0.7977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1886    0.4875   -0.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9050   -1.7778    0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5945   -2.6592   -1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2357   -0.9413    1.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5185   -0.7508    1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9832   -2.7871    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8263    1.3073   -1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4247   -4.6909    0.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4928   -4.2345   -0.8833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1102   -4.2384    0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7326   -2.4336   -1.6064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2662   -3.0333   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1030   -1.3031   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5259   -3.1417    2.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1377   -2.5695    2.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987   -1.4082    2.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2027   -2.4060   -1.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3739    1.7778    0.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0326    1.6772    1.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5877    2.6033    2.0549 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 24  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3 14  2  0  0  0  0
  4 16  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 35  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  0  0  0  0
  6 36  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  2  0  0  0  0
  8 20  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 21  2  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 23 47  1  0  0  0  0
 23 48  1  0  0  0  0
 24 25  2  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$