
 brimonidine

 27 29  0  0  0  0  0  0  0  0999 V2000
    0.2129   -1.3916    0.1375 C   0  0  0  0  0
   -0.9051   -0.3730    0.3572 C   0  0  0  0  0
   -0.2562    0.9629    0.3052 N   0  0  0  0  0
    0.9204    0.7355   -0.2005 C   0  0  0  0  0
    1.2368   -0.5668   -0.4727 N   0  0  0  0  0
    1.9217    1.6055   -0.5015 N   0  0  0  0  0
    1.9054    3.0091   -0.3380 C   0  0  0  0  0
    2.7209    3.8383   -1.1406 C   0  0  0  0  0
    2.7535    5.2380   -1.0028 C   0  0  0  0  0
    3.5250    6.0337   -1.7915 N   0  0  0  0  0
    3.4744    7.3650   -1.5756 C   0  0  0  0  0
    2.6819    7.9141   -0.5940 C   0  0  0  0  0
    1.9101    7.1542    0.2088 N   0  0  0  0  0
    1.9452    5.8234    0.0015 C   0  0  0  0  0
    1.1635    5.0140    0.8076 C   0  0  0  0  0
    1.1413    3.6282    0.6504 C   0  0  0  0  0
    3.8172    3.0215   -2.4890 Br  0  0  0  0  0
    0.5692   -1.7894    1.0935 H   0  0  0  0  0
   -0.0936   -2.2185   -0.5084 H   0  0  0  0  0
   -1.4013   -0.5252    1.3205 H   0  0  0  0  0
   -1.6571   -0.4341   -0.4367 H   0  0  0  0  0
    2.1858   -0.8239   -0.2287 H   0  0  0  0  0
    2.4977    1.3087   -1.2810 H   0  0  0  0  0
    4.0929    7.9774   -2.2199 H   0  0  0  0  0
    2.6430    8.9832   -0.4227 H   0  0  0  0  0
    0.5513    5.4707    1.5824 H   0  0  0  0  0
    0.5177    3.0433    1.3229 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7 16  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 24  1  0  0  0
 12 13  1  0  0  0
 12 25  1  0  0  0
 13 14  2  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
M  END

>  <Chemical Name>
brimonidine

>  <PubChem CID>
2435

>  <Formula>
C11H10BrN5

>  <Molecular Weight>
292.140000

>  <IUPAC Name>
5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine

>  <XlogP>
0.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br

>  <Isomeric SMILES>
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br

>  <InChI Std. ID>
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)

>  <InChI Key>
XYLJNLCSTIOKRM-UHFFFAOYSA-N

