
 Cgs 15943

 28 31  0  0  0  0  0  0  0  0999 V2000
   -1.2082   -0.1694    0.1451 C   0  0  0  0  0
   -0.4236    0.9551    0.0524 C   0  0  0  0  0
    0.8887    0.6160   -0.0190 O   0  0  0  0  0
    0.9600   -0.7508    0.0270 C   0  0  0  0  0
   -0.3175   -1.2703    0.1290 C   0  0  0  0  0
    2.2206   -1.5495   -0.0243 C   0  0  0  0  0
    3.4365   -0.9843   -0.1221 N   0  0  0  0  0
    4.2248   -2.0779   -0.1461 N   0  0  0  0  0
    3.5004   -3.2269   -0.0344 C   0  0  0  0  0
    2.2216   -2.9327    0.0361 N   0  0  0  0  0
    4.2195   -4.4808   -0.0007 C   0  0  0  0  0
    5.6303   -4.3950   -0.0715 C   0  0  0  0  0
    6.3769   -5.5730   -0.0404 C   0  0  0  0  0
    5.7369   -6.8125    0.0595 C   0  0  0  0  0
    4.3437   -6.8770    0.1292 C   0  0  0  0  0
    3.5761   -5.7151    0.1001 C   0  0  0  0  0
    3.5683   -8.4080    0.2527 Cl  0  0  0  0  0
    6.3165   -3.1544   -0.1750 N   0  0  0  0  0
    5.6297   -2.0423   -0.2226 C   0  0  0  0  0
    6.2493   -0.8238   -0.3292 N   0  0  0  0  0
   -2.2866   -0.1926    0.2149 H   0  0  0  0  0
   -0.6329    2.0155    0.0257 H   0  0  0  0  0
   -0.5669   -2.3214    0.1841 H   0  0  0  0  0
    7.4615   -5.5238   -0.0959 H   0  0  0  0  0
    6.3315   -7.7225    0.0819 H   0  0  0  0  0
    2.4915   -5.7656    0.1547 H   0  0  0  0  0
    7.2189   -0.8084   -0.0384 H   0  0  0  0  0
    5.6910   -0.0186   -0.0526 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  5 23  1  0  0  0
  6  7  2  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  8 19  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 18  1  0  0  0
 13 14  2  0  0  0
 13 24  1  0  0  0
 14 15  1  0  0  0
 14 25  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 26  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 20 27  1  0  0  0
 20 28  1  0  0  0
M  END

>  <Chemical Name>
Cgs 15943

>  <PubChem CID>
2690

>  <Formula>
C13H8ClN5O

>  <Molecular Weight>
285.691000

>  <IUPAC Name>
9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N

>  <Isomeric SMILES>
C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N

>  <InChI Std. ID>
InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)

>  <InChI Key>
MSJODEOZODDVGW-UHFFFAOYSA-N

