-ISIS-  08251614012D

 22 23  0  0  0  0  0  0  0  0999 V2000
    1.0000   -0.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4958    0.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4958    0.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125    0.4167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0042   -0.4292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5125   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9917    1.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9917   -0.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083   -1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9958   -0.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4958    0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0083    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0083   -2.1833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0083    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9917    1.3167    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4750   -1.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4750    2.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4917    0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  1  0  0  0  0
  6 12  2  0  0  0  0
  7  1  2  0  0  0  0
  8  4  1  0  0  0  0
  9 13  2  0  0  0  0
 10  5  1  0  0  0  0
 11  2  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16  7  1  0  0  0  0
 17 10  2  0  0  0  0
 18  8  1  0  0  0  0
 19  9  1  0  0  0  0
 20 14  1  0  0  0  0
 21 18  1  0  0  0  0
 22 18  1  0  0  0  0
  6  4  1  0  0  0  0
 14  9  1  0  0  0  0
M  END
>  <ID> (STK911661)
STK911661

>  <Rotatable_Bonds> (STK911661)
3

>  <logP> (STK911661)
4.742

>  <PSA> (STK911661)
80.18

>  <H_Donors> (STK911661)
1

>  <H_Acceptors> (STK911661)
1

>  <Number_of_rings> (STK911661)
2

>  <NAME> (STK911661)
5-chloro-N-(3,4-dimethylphenyl)-2-(propan-2-ylsulfanyl)pyrimidine-4-carboxamide

>  <Mol_Weight> (STK911661)
335.86

>  <Mol_Formula> (STK911661)
C16H18ClN3OS

>  <Smiles> (STK911661)
CC(Sc1ncc(c(n1)C(=O)Nc1ccc(c(c1)C)C)Cl)C

$$$$