-OEChem-03311014132D

 12 13  0     0  0  0  0  0  0999 V2000
   25.2601  -19.7144    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   27.7858  -21.3982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8559  -23.6433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.2601  -23.9239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0674  -21.8192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.5229  -21.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5229  -23.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2601  -21.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6276  -22.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0674  -23.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4781  -19.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4839  -17.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
17395623

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C14623

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 5417-84-5

> <PUBCHEM_SUBSTANCE_SYNONYM>
5417-84-5
6-(Ethylthio)purine
6-Ethylmercaptopurine
C14623

> <PUBCHEM_GENERIC_REGISTRY_NAME>
5417-84-5

> <PUBCHEM_XREF_EXT_ID>
C14623

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C14623

> <PUBCHEM_CID_ASSOCIATIONS>
94971  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$