
 TASOSARTAN

 52 56  0  0  0  0  0  0  0  0999 V2000
    0.8526   -1.6070   -2.5658 C   0  0  0  0  0
    2.3318   -1.6942   -2.3278 C   0  0  0  0  0
    2.8659   -2.3405   -1.2204 C   0  0  0  0  0
    2.0308   -2.9422   -0.1360 C   0  0  0  0  0
    2.7631   -4.0921    0.5198 C   0  0  0  0  0
    4.1561   -3.6912    0.9380 C   0  0  0  0  0
    4.6319   -4.1165    1.9917 O   0  0  0  0  0
    4.8638   -2.9224    0.0266 N   0  0  0  0  0
    4.2478   -2.3159   -1.1015 C   0  0  0  0  0
    5.0301   -1.6981   -2.0045 N   0  0  0  0  0
    4.4326   -1.1397   -3.0663 C   0  0  0  0  0
    3.1071   -1.1052   -3.2600 N   0  0  0  0  0
    5.3030   -0.4778   -4.0870 C   0  0  0  0  0
    6.3072   -2.7778    0.2088 C   0  0  0  0  0
    7.0787   -3.9420   -0.3807 C   0  0  0  0  0
    7.3181   -4.0132   -1.7561 C   0  0  0  0  0
    7.9408   -5.1309   -2.3153 C   0  0  0  0  0
    8.3708   -6.2055   -1.5190 C   0  0  0  0  0
    8.1774   -6.1021   -0.1330 C   0  0  0  0  0
    7.5211   -4.9973    0.4267 C   0  0  0  0  0
    9.0080   -7.3839   -2.1506 C   0  0  0  0  0
   10.1021   -7.1540   -3.0195 C   0  0  0  0  0
   10.7472   -8.1928   -3.6930 C   0  0  0  0  0
   10.3263   -9.5001   -3.5048 C   0  0  0  0  0
    9.2646   -9.7631   -2.6405 C   0  0  0  0  0
    8.5896   -8.7240   -1.9613 C   0  0  0  0  0
    7.4679   -9.1086   -1.1081 C   0  0  0  0  0
    7.4434  -10.2361   -0.3692 N   0  0  0  0  0
    6.2327  -10.1233    0.1954 N   0  0  0  0  0
    5.5168   -9.0536   -0.1566 N   0  0  0  0  0
    6.2962   -8.3950   -1.0035 N   0  0  0  0  0
    0.6364   -0.9957   -3.4486 H   0  0  0  0  0
    0.3525   -1.1433   -1.7100 H   0  0  0  0  0
    0.4357   -2.6038   -2.7386 H   0  0  0  0  0
    1.8053   -2.1632    0.6025 H   0  0  0  0  0
    1.0791   -3.3183   -0.5263 H   0  0  0  0  0
    2.2065   -4.4267    1.4023 H   0  0  0  0  0
    2.8529   -4.9448   -0.1645 H   0  0  0  0  0
    6.3285   -0.8559   -4.0269 H   0  0  0  0  0
    5.3165    0.6025   -3.9173 H   0  0  0  0  0
    4.9253   -0.6745   -5.0950 H   0  0  0  0  0
    6.5214   -2.7120    1.2835 H   0  0  0  0  0
    6.6670   -1.8302   -0.2094 H   0  0  0  0  0
    6.9985   -3.2103   -2.4143 H   0  0  0  0  0
    8.0691   -5.1631   -3.3956 H   0  0  0  0  0
    8.5075   -6.8992    0.5299 H   0  0  0  0  0
    7.3361   -4.9802    1.4998 H   0  0  0  0  0
   10.4637   -6.1381   -3.1770 H   0  0  0  0  0
   11.5759   -7.9751   -4.3616 H   0  0  0  0  0
   10.8188  -10.3159   -4.0269 H   0  0  0  0  0
    8.9466  -10.7963   -2.5059 H   0  0  0  0  0
    5.8750  -10.8142    0.8487 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2 12  1  0  0  0
  2  3  2  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 47  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 48  1  0  0  0
 23 24  2  0  0  0
 23 49  1  0  0  0
 24 25  1  0  0  0
 24 50  1  0  0  0
 25 26  2  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 31  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 52  1  0  0  0
 30 31  2  0  0  0
M  END

>  <Chemical Name>
TASOSARTAN

>  <PubChem CID>
60919

>  <Formula>
C23H21N7O

>  <Molecular Weight>
411.469000

>  <IUPAC Name>
2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C2CCC(=O)N(C2=NC(=N1)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

>  <Isomeric SMILES>
CC1=C2CCC(=O)N(C2=NC(=N1)C)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5

>  <InChI Std. ID>
InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)

>  <InChI Key>
ADXGNEYLLLSOAR-UHFFFAOYSA-N

