3366
 OpenBabel05082101102D

 13 13  0  0  0  0  0  0  0  0999 V2000
    2.5369    1.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
3366

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
208

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBjIQAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHwAQAAAACADBAAQBAALAAACoABBhVAAAAAAAAAAAAAAAABCAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
6-amino-5-fluoro-1H-pyrimidin-2-one

>  <PUBCHEM_IUPAC_CAS_NAME>
6-amino-5-fluoro-1H-pyrimidin-2-one

>  <PUBCHEM_IUPAC_NAME_MARKUP>
6-amino-5-fluoro-1<I>H</I>-pyrimidin-2-one

>  <PUBCHEM_IUPAC_NAME>
6-amino-5-fluoro-1H-pyrimidin-2-one

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-azanyl-5-fluoranyl-1H-pyrimidin-2-one

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-amino-5-fluoro-1H-pyrimidin-2-one

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H4FN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)

>  <PUBCHEM_IUPAC_INCHIKEY>
XRECTZIEBJDKEO-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
-0.9

>  <PUBCHEM_EXACT_MASS>
129.03384

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H4FN3O

>  <PUBCHEM_MOLECULAR_WEIGHT>
129.09

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC(=O)NC(=C1F)N

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC(=O)NC(=C1F)N

>  <PUBCHEM_CACTVS_TPSA>
67.5

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
129.03384

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
9

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
3  6  8
3  8  8
5  8  8
5  9  8
6  7  8
7  9  8

$$$$
