
 D0M5TM

 28 30  0  0  0  0  0  0  0  0999 V2000
    0.9361   -0.3628   -0.2946 C   0  0  0  0  0
    2.3498   -0.1753   -0.0820 N   0  0  0  0  0
    3.2578   -1.1943    0.0290 C   0  0  0  0  0
    4.4869   -0.5695    0.1187 C   0  0  0  0  0
    5.6127   -1.4018    0.2315 C   0  0  0  0  0
    5.4293   -2.7415    0.2260 N   0  0  0  0  0
    4.1660   -3.2131    0.1379 C   0  0  0  0  0
    3.0157   -2.5163    0.0331 N   0  0  0  0  0
    6.9115   -0.9175    0.3248 N   0  0  0  0  0
    4.3434    0.7989    0.0568 N   0  0  0  0  0
    3.0399    1.0230   -0.0227 C   0  0  0  0  0
    2.4404    2.3578   -0.0862 C   0  0  0  0  0
    2.9855    3.3116   -0.9540 C   0  0  0  0  0
    2.4352    4.5867   -1.0199 C   0  0  0  0  0
    1.3510    4.9422   -0.2267 C   0  0  0  0  0
    0.8126    4.0094    0.6569 C   0  0  0  0  0
    1.3594    2.7242    0.7310 C   0  0  0  0  0
    2.9582    5.4882   -1.8611 F   0  0  0  0  0
    0.7571   -1.3451   -0.7392 H   0  0  0  0  0
    0.5660    0.4026   -0.9808 H   0  0  0  0  0
    0.4315   -0.2952    0.6719 H   0  0  0  0  0
    4.0659   -4.2954    0.1496 H   0  0  0  0  0
    7.5923   -1.6007    0.0203 H   0  0  0  0  0
    7.0100    0.0311   -0.0207 H   0  0  0  0  0
    3.8412    3.0694   -1.5793 H   0  0  0  0  0
    0.9428    5.9458   -0.2940 H   0  0  0  0  0
   -0.0223    4.2850    1.2965 H   0  0  0  0  0
    0.9474    2.0221    1.4524 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 11  1  0  0  0
  3  8  1  0  0  0
  3  4  2  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 22  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
D0M5TM

>  <PubChem CID>
10633978

>  <Formula>
C12H10FN5

>  <Molecular Weight>
243.245000

>  <IUPAC Name>
8-(3-fluorophenyl)-9-methylpurin-6-amine

>  <XlogP>
1.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)F

>  <Isomeric SMILES>
CN1C2=C(C(=NC=N2)N)N=C1C3=CC(=CC=C3)F

>  <InChI Std. ID>
InChI=1S/C12H10FN5/c1-18-11(7-3-2-4-8(13)5-7)17-9-10(14)15-6-16-12(9)18/h2-6H,1H3,(H2,14,15,16)

>  <InChI Key>
JXJYLIUAIVDUNX-UHFFFAOYSA-N

