Marvin  02141315042D          

 11 12  0  0  0  0            999 V2000
   11.9735   -8.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9735   -7.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7582   -7.2132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7582   -8.5334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2564   -7.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2512   -8.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5538   -7.4499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5538   -8.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2512   -7.0513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2388   -6.2293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8438   -8.7202    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  1  0  0  0  0
  6  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 11  8  1  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <ID>
CHEBI:72457

> <NAME>
2-fluoroadenine

> <DEFINITION>
An organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine.

> <STAR>
3

> <SYNONYM>
SRI 774; NSC 27364; F-Ade; BRN 0610958; 2-fluoro-7(9)H-purin-6-ylamine; 2-fluoro-6-aminopurine; 2-fluoro-1H-purin-6-amine; 2-Fad

> <IUPAC_NAME>
2-fluoro-7H-purin-6-amine

> <FORMULA>
C5H4FN5

> <MASS>
153.11720

> <MONOISOTOPIC_MASS>
153.04507

> <CHARGE>
0

> <SMILES>
Nc1nc(F)nc2nc[nH]c12

> <INCHI>
InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)

> <INCHIKEY>
WKMPTBDYDNUJLF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
700-49-2

> <REAXYS_REGISTRY_NUMBER>
11305663

> <CHEMIDPLUS>
700-49-2

> <PDBECHEM_ACCESSION>
A2F

> <PUBMED_CITATION>
19388075; 3307790; 9634004

$$$$