
 CHEMBL539103

 22 22  0  0  0  0  0  0  0  0999 V2000
   -1.4658   -1.3481    0.1967 C   0  0  0  0  0
   -0.1947   -0.5437    0.3166 C   0  0  0  0  0
   -0.2344    0.8526    0.2035 C   0  0  0  0  0
    0.9477    1.5994    0.3155 C   0  0  0  0  0
    2.1649    0.9532    0.5440 C   0  0  0  0  0
    2.2078   -0.4392    0.6590 C   0  0  0  0  0
    1.0331   -1.1887    0.5441 C   0  0  0  0  0
    1.0882   -2.5403    0.6563 F   0  0  0  0  0
   -1.4723    1.4990   -0.0213 N   0  0  0  0  0
   -2.6743    0.7452   -0.1219 C   0  0  0  0  0
   -2.6594   -0.5443   -0.0231 N   0  0  0  0  0
   -3.9064    1.4134   -0.3287 N   0  0  0  0  0
    3.2965   -0.1492   -2.9966 I   0  0  0  0  0
   -1.3616   -2.0599   -0.6493 H   0  0  0  0  0
   -1.6074   -1.9309    1.1312 H   0  0  0  0  0
    0.9229    2.6784    0.2277 H   0  0  0  0  0
    3.0761    1.5309    0.6312 H   0  0  0  0  0
    3.1525   -0.9365    0.8350 H   0  0  0  0  0
   -1.5083    2.5262   -0.1056 H   0  0  0  0  0
   -4.7843    0.8781   -0.3964 H   0  0  0  0  0
   -3.9353    2.4400   -0.4053 H   0  0  0  0  0
    4.2539    0.0748   -1.5777 H   0  0  0  0  0
  1 11  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4 16  1  0  0  0
  5  6  1  0  0  0
  5 17  1  0  0  0
  6  7  2  0  0  0
  6 18  1  0  0  0
  7  8  1  0  0  0
  9 10  1  0  0  0
  9 19  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 20  1  0  0  0
 12 21  1  0  0  0
 13 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL539103

>  <PubChem CID>
45266025

>  <Formula>
C8H9FIN3

>  <Molecular Weight>
293.084000

>  <IUPAC Name>
5-fluoro-1,4-dihydroquinazolin-2-amine;hydroiodide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1C2=C(C=CC=C2F)NC(=N1)N.I

>  <Isomeric SMILES>
C1C2=C(C=CC=C2F)NC(=N1)N.I

>  <InChI Std. ID>
InChI=1S/C8H8FN3.HI/c9-6-2-1-3-7-5(6)4-11-8(10)12-7;/h1-3H,4H2,(H3,10,11,12);1H

>  <InChI Key>
CINLJSLPWMNWSD-UHFFFAOYSA-N

