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3-Amino-6-methyl-2-thioxo-2,3-dihyd
3-Amino-6-methyl-2-thioxo-2,3-dihyd
ID: BP-11784
Supplier:BroadPharm

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SMILES:n1(c(=S)[nH]c(cc1=O)C)N	
FORMULA: C5H7N3OS
MASS: 157.1936
EXACT MASS: 157.0309829
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      N   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.6000     0.0000 
   C   3    0.6010     1.0398     0.0000 
   C   4    1.0375     1.1985     0.5975     0.0000 
   N   5    1.0398     0.6010     1.2000     1.0378     0.0000 
   C   6    1.1985     1.0375     1.0378     0.6000     0.5975     0.0000 
   S   7    1.0378     0.5975     1.5863     1.7960     1.0375     1.5829 
   O   8    1.0398     1.5878     0.6000     1.0378     1.8000     1.5865 
   N   9    0.5975     1.0378     1.0375     1.5829     1.5863     1.7960 
   C  10    1.7859     1.5230     1.6256     1.1096     0.9500     0.6010 

              S   7      O   8      N   9      C  10
              --------------------------------------------
   S   7    0.0000 
   O   8    2.0776     0.0000 
   N   9    1.2000     1.1985     0.0000 
   C  10    1.9831     2.1430     2.3818     0.0000 



ATOMIC CHARGES
   N   1   -0.1800248766
   C   2    0.2002671237
   C   3    0.2798213949
   C   4    0.0769711954
   N   5   -0.2249712025
   C   6    0.0663093927
   S   7   -0.0094830447
   O   8   -0.2654239892
   N   9    0.0042059145
   C  10    0.0523280916


BOND ANGLES
   2    1    3  Car  Nar  Car    119.944
   2    1    9  Car  Nar   N3    120.140
   3    1    9  Car  Nar   N3    119.917
   1    2    5  Nar  Car  Nar    119.944
   1    2    7  Nar  Car   S2    120.140
   5    2    7  Nar  Car   S2    119.917
   1    3    4  Nar  Car  Car    119.917
   1    3    8  Nar  Car   O2    119.944
   4    3    8  Car  Car   O2    120.140
   3    4    6  Car  Car  Car    120.140
   2    5    6  Car  Nar  Car    119.917
   4    6   10  Car  Car   C3    135.000
   4    6    5  Car  Car  Nar    120.140
   5    6   10  Nar  Car   C3    104.860


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    9    179.974
   7    2    1    3    179.974
   7    2    1    9      0.026
   4    3    1    2      0.026
   4    3    1    9    179.974
   8    3    1    2    179.974
   8    3    1    9      0.026
   6    4    3    1      0.026
   6    4    3    8    179.974
   6    5    2    1      0.026
   6    5    2    7    179.974
  10    6    4    3    179.974
   5    6    4    3      0.026
   2    5    6    4      0.026
   2    5    6   10    179.974