
 Talipexole

 29 30  0  0  0  0  0  0  0  0999 V2000
    1.6938    2.5889   -1.0292 C   0  0  0  0  0
    2.5949    2.3115   -0.0775 C   0  0  0  0  0
    3.0015    0.9248    0.3333 C   0  0  0  0  0
    4.4514    0.7078    0.1935 N   0  0  0  0  0
    4.8829   -0.5003    0.9250 C   0  0  0  0  0
    4.5893   -1.8656    0.2834 C   0  0  0  0  0
    5.4922   -2.2067   -0.8585 C   0  0  0  0  0
    6.2009   -1.3208   -1.6506 C   0  0  0  0  0
    6.2420    0.1739   -1.5755 C   0  0  0  0  0
    4.8596    0.7581   -1.2286 C   0  0  0  0  0
    7.0882   -2.1852   -2.8313 S   0  0  0  0  0
    6.4389   -3.6564   -2.2353 C   0  0  0  0  0
    5.6402   -3.5404   -1.2043 N   0  0  0  0  0
    6.7525   -4.8375   -2.7892 N   0  0  0  0  0
    1.4453    3.6171   -1.2736 H   0  0  0  0  0
    1.1910    1.8044   -1.5865 H   0  0  0  0  0
    3.0739    3.1299    0.4555 H   0  0  0  0  0
    2.4335    0.1668   -0.2207 H   0  0  0  0  0
    2.7131    0.8235    1.3875 H   0  0  0  0  0
    4.4257   -0.4858    1.9235 H   0  0  0  0  0
    5.9591   -0.4142    1.1267 H   0  0  0  0  0
    4.7169   -2.6352    1.0556 H   0  0  0  0  0
    3.5462   -1.9262   -0.0458 H   0  0  0  0  0
    6.9966    0.4975   -0.8488 H   0  0  0  0  0
    6.5477    0.5845   -2.5463 H   0  0  0  0  0
    4.8820    1.8153   -1.5220 H   0  0  0  0  0
    4.1059    0.2719   -1.8639 H   0  0  0  0  0
    7.6095   -4.8978   -3.3234 H   0  0  0  0  0
    6.5500   -5.6514   -2.2206 H   0  0  0  0  0
  1  2  2  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 20  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  6 23  1  0  0  0
  7  8  2  0  0  0
  7 13  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 14  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
M  END

>  <Chemical Name>
Talipexole

>  <PubChem CID>
5374

>  <Formula>
C10H15N3S

>  <Molecular Weight>
209.311000

>  <IUPAC Name>
6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine

>  <XlogP>
1.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C=CCN1CCC2=C(CC1)SC(=N2)N

>  <Isomeric SMILES>
C=CCN1CCC2=C(CC1)SC(=N2)N

>  <InChI Std. ID>
InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)

>  <InChI Key>
DHSSDEDRBUKTQY-UHFFFAOYSA-N

