
 pramipexole

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.4589    3.7128   -1.0929 C   0  0  0  0  0
    1.5008    2.6115   -0.9655 C   0  0  0  0  0
    2.8516    3.1729   -0.5169 C   0  0  0  0  0
    3.8088    2.0777   -0.3650 N   0  0  0  0  0
    5.1640    2.5346   -0.0052 C   0  0  0  0  0
    6.1592    1.3678   -0.2499 C   0  0  0  0  0
    5.9419    0.1640    0.6872 C   0  0  0  0  0
    5.6784    0.6101    2.0852 C   0  0  0  0  0
    5.3646    1.9110    2.4155 C   0  0  0  0  0
    5.2983    3.0524    1.4577 C   0  0  0  0  0
    5.0965    2.0439    4.0885 S   0  0  0  0  0
    5.4018    0.3566    4.2524 C   0  0  0  0  0
    5.6981   -0.2753    3.1413 N   0  0  0  0  0
    5.3545   -0.2481    5.4499 N   0  0  0  0  0
   -0.4986    3.2930   -1.4158 H   0  0  0  0  0
    0.7677    4.4624   -1.8277 H   0  0  0  0  0
    0.3026    4.2155   -0.1334 H   0  0  0  0  0
    1.6073    2.1038   -1.9323 H   0  0  0  0  0
    1.1426    1.8657   -0.2450 H   0  0  0  0  0
    2.7181    3.7090    0.4280 H   0  0  0  0  0
    3.2111    3.8876   -1.2662 H   0  0  0  0  0
    3.4623    1.4225    0.3382 H   0  0  0  0  0
    5.4451    3.3492   -0.6854 H   0  0  0  0  0
    7.1785    1.7504   -0.1012 H   0  0  0  0  0
    6.1077    1.0308   -1.2929 H   0  0  0  0  0
    6.8229   -0.4867    0.6586 H   0  0  0  0  0
    5.0885   -0.4295    0.3386 H   0  0  0  0  0
    4.4872    3.7406    1.7157 H   0  0  0  0  0
    6.2322    3.6241    1.5388 H   0  0  0  0  0
    5.8093   -1.1525    5.4940 H   0  0  0  0  0
    5.4818    0.3261    6.2730 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
M  END

>  <Chemical Name>
pramipexole

>  <PubChem CID>
119570

>  <Formula>
C10H17N3S

>  <Molecular Weight>
211.327000

>  <IUPAC Name>
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCNC1CCC2=C(C1)SC(=N2)N

>  <Isomeric SMILES>
CCCN[C@H]1CCC2=C(C1)SC(=N2)N

>  <InChI Std. ID>
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1

>  <InChI Key>
FASDKYOPVNHBLU-ZETCQYMHSA-N

