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2,4-dichloro-6-phenylthieno[2,3-d]pyrimidine
2,4-dichloro-6-phenylthieno[2,3-d]pyrimidine
ID: BP-12051
Supplier:BroadPharm

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SMILES:c12c(cc(s2)c2ccccc2)c(nc(n1)Cl)Cl	
FORMULA: C12H6Cl2N2S
MASS: 281.1604
EXACT MASS: 279.9628746
INTERATOMIC DISTANCES

              C   1      C   2      N   3      N   4      S   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   N   3    0.8197     1.4238     0.0000 
   N   4    1.6424     1.4208     1.4229     0.0000 
   S   5    0.8235     1.3359     1.5000     2.4542     0.0000 
   C   6    1.3335     0.8275     2.1095     2.2238     1.3333     0.0000 
   C   7    1.4265     0.8212     1.6459     0.8218     2.1125     1.5079 
   C   8    1.3309     1.3374     2.1388     2.7225     0.8201     0.8268 
   C   9    1.4250     1.6450     0.8249     0.8208     2.2224     2.4597 
   C  10    2.1352     2.1409     2.9218     3.5444     1.4702     1.4740 
  Cl  11    2.3665     1.6028     2.6587     1.5824     2.9306     1.9234 
  Cl  12    2.2273     2.4454     1.5211     1.3017     3.0002     3.2679 
   C  13    2.7453     2.5263     3.5615     3.9413     2.2053     1.7215 
   C  14    2.5231     2.7525     3.2142     4.0871     1.7218     2.2106 
   C  15    3.5115     3.3431     4.3179     4.7603     2.8937     2.5422 
   C  16    3.3471     3.5233     4.0431     4.8885     2.5505     2.9010 
   C  17    3.7684     3.7726     4.5299     5.1866     3.0366     3.0366 

              C   7      C   8      C   9      C  10     Cl  11     Cl  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.1481     0.0000 
   C   9    1.4259     2.7231     0.0000 
   C  10    2.9310     0.8291     3.5449     0.0000 
  Cl  11    1.0129     2.7252     2.3503     3.3839     0.0000 
  Cl  12    2.0863     3.5390     0.8197     4.3576     2.8684     0.0000 
   C  13    3.2227     1.4300     4.0882     0.8248     3.4379     4.9078 
   C  14    3.5709     1.4301     3.9410     0.8249     4.1336     4.7218 
   C  15    4.0430     2.1809     4.8833     1.4250     4.2212     5.7028 
   C  16    4.3320     2.1860     4.7677     1.4280     4.8106     5.5507 
   C  17    4.5374     2.4791     5.1876     1.6500     4.8514     5.9956 

              C  13      C  14      C  15      C  16      C  17
              -------------------------------------------------------
   C  13    0.0000 
   C  14    1.4333     0.0000 
   C  15    0.8208     1.6553     0.0000 
   C  16    1.6522     0.8291     1.4333     0.0000 
   C  17    1.4315     1.4357     0.8311     0.8268     0.0000 



ATOMIC CHARGES
   C   1    0.1154651274
   C   2    0.0529086712
   N   3   -0.2100469815
   N   4   -0.2050970794
   S   5   -0.0678574512
   C   6    0.0109094619
   C   7    0.1427150690
   C   8    0.0309922217
   C   9    0.2251091074
   C  10    0.0060427790
  Cl  11   -0.0611835639
  Cl  12   -0.0409828495
   C  13    0.0004965663
   C  14    0.0004965663
   C  15    0.0000159769
   C  16    0.0000159769
   C  17    0.0000004013


BOND ANGLES
   2    1    3  Car  Car  Nar    119.924
   2    1    5  Car  Car   S2    108.265
   3    1    5  Nar  Car   S2    131.811
   1    2    6  Car  Car  Car    107.598
   1    2    7  Car  Car  Car    120.113
   6    2    7  Car  Car  Car    132.289
   1    3    9  Car  Nar  Car    120.108
   7    4    9  Car  Nar  Car    120.469
   1    5    8  Car   S2  Car    108.144
   2    6    8  Car  Car  Car    107.888
   2    7   11  Car  Car   Cl    121.467
   2    7    4  Car  Car  Nar    119.710
   4    7   11  Nar  Car   Cl    118.822
   5    8   10   S2  Car  Car    126.117
   5    8    6   S2  Car  Car    108.106
   6    8   10  Car  Car  Car    125.778
   3    9    4  Nar  Car  Nar    119.676
   4    9   12  Nar  Car   Cl    105.025
   3    9   12  Nar  Car   Cl    135.299
   8   10   13  Car  Car  Car    119.679
   8   10   14  Car  Car  Car    119.676
  13   10   14  Car  Car  Car    120.645
  10   13   15  Car  Car  Car    119.973
  10   14   16  Car  Car  Car    119.386
  13   15   17  Car  Car  Car    120.126
  14   16   17  Car  Car  Car    120.216
  15   17   16  Car  Car  Car    119.655


TORSION ANGLES
   6    2    1    3    179.974
   6    2    1    5      0.026
   7    2    1    3      0.026
   7    2    1    5    179.974
   9    3    1    2      0.026
   9    3    1    5    179.974
   7    4    9    3      0.026
   7    4    9   12    179.974
   8    5    1    2      0.026
   8    5    1    3    179.974
   8    6    2    1      0.026
   8    6    2    7    179.974
  10    8    5    1    179.974
   6    8    5    1      0.026
  11    7    2    1    179.974
  11    7    2    6      0.026
   4    7    2    1      0.026
   4    7    2    6    179.974
   4    9    3    1      0.026
  12    9    3    1    179.974
  13   10    8    5    179.974
  13   10    8    6      0.026
  14   10    8    5      0.026
  14   10    8    6    179.974
  15   13   10    8    179.974
  15   13   10   14      0.026
  16   14   10    8    179.974
  16   14   10   13      0.026
  17   15   13   10      0.026
  17   16   14   10      0.026
  15   17   16   14      0.026
   5    8    6    2      0.026
  10    8    6    2    179.974
   9    4    7    2      0.026
   9    4    7   11    179.974
  16   17   15   13      0.026