3385
 OpenBabel05082101102D

 12 12  0  0  0  0  0  0  0  0999 V2000
    2.0000    1.3100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
3385

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
199

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjMQAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHwAQAAAACADBgAQBAALAAACIAAFWUACAAAAAAAAAAIAIAECAAAAAAAAAAAAIByIAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
5-fluoro-1H-pyrimidine-2,4-dione

>  <PUBCHEM_IUPAC_CAS_NAME>
5-fluoro-1H-pyrimidine-2,4-dione

>  <PUBCHEM_IUPAC_NAME_MARKUP>
5-fluoro-1<I>H</I>-pyrimidine-2,4-dione

>  <PUBCHEM_IUPAC_NAME>
5-fluoro-1H-pyrimidine-2,4-dione

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-fluoranyl-1H-pyrimidine-2,4-dione

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-fluorouracil

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)

>  <PUBCHEM_IUPAC_INCHIKEY>
GHASVSINZRGABV-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
-0.9

>  <PUBCHEM_EXACT_MASS>
130.017856

>  <PUBCHEM_MOLECULAR_FORMULA>
C4H3FN2O2

>  <PUBCHEM_MOLECULAR_WEIGHT>
130.08

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(C(=O)NC(=O)N1)F

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(C(=O)NC(=O)N1)F

>  <PUBCHEM_CACTVS_TPSA>
58.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
130.017856

>  <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>
4  6  8
4  7  8
5  7  8
5  9  8
6  8  8
8  9  8

$$$$
