2797138
  -OEChem-05112401452D

 24 25  0     0  0  0  0  0  0999 V2000
    2.3008   -0.2732    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    1.9535    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2704   -1.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024    1.0741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7345   -1.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -1.9259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8685   -0.4259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364   -0.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    0.8402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2704    0.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364   -1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024    0.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    0.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    1.7798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8685   -1.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    2.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    2.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718   -0.4008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -2.5459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4054   -0.1159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.3249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389    3.1285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435    2.8472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5 15  2  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  2  0  0  0  0
 10 19  1  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2797138

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
416

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzMQAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHwIQAAAADAKBmCgxAILAAACIAiFSEACCAAAgBQAIiAEAAsiIICqJUxCEIAAohSIIiYcAgAAOAAAAAAABAAAAAAAAAAIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(2-chloro-6-fluoro-phenyl)methylene]hexahydropyrimidine-2,4,6-trione

> <PUBCHEM_IUPAC_CAS_NAME>
5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_NAME>
5-[(2-chloro-6-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-1,3-diazinane-2,4,6-trione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(2-chloro-6-fluoro-benzylidene)barbituric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H6ClFN2O3/c12-7-2-1-3-8(13)5(7)4-6-9(16)14-11(18)15-10(6)17/h1-4H,(H2,14,15,16,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
FOXOBSVKABALOK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
268.0050979

> <PUBCHEM_MOLECULAR_FORMULA>
C11H6ClFN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
268.63

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C(=C1)Cl)C=C2C(=O)NC(=O)NC2=O)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C(=C1)Cl)C=C2C(=O)NC(=O)NC2=O)F

> <PUBCHEM_CACTVS_TPSA>
75.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.0050979

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
13  16  8
14  17  8
16  18  8
17  18  8
9  13  8
9  14  8

$$$$