2319857
  -OEChem-04262413112D

 30 31  0     0  0  0  0  0  0999 V2000
    2.3008   -0.0832    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.9544    2.1435    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6452    1.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2704   -1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7345   -1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8685   -0.2359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -1.7359    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364   -0.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024    0.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1364   -1.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8685   -1.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2704    0.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7345    0.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -2.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    0.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696    1.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268    2.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3420    2.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718   -0.2108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0445   -0.2728    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2714    0.5741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4245    0.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3824   -2.7359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0024   -3.3559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6224   -2.7359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.5149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389    3.3185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435    3.0372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  9  2  0  0  0  0
  4 10  2  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2319857

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
456

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAGAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgIAAAAADAKBmCQzAIMAAACIAiFSEACCAAAgBQAIiAEIAsiIICqJUxCEIAAohyIIiYcAgAAOAAAAAACBAAAAAAAAAQIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-[(2,6-dichlorophenyl)methylene]-1,3-dimethyl-hexahydropyrimidine-2,4,6-trione

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(2,6-dichlorobenzylidene)-1,3-dimethyl-barbituric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H10Cl2N2O3/c1-16-11(18)8(12(19)17(2)13(16)20)6-7-9(14)4-3-5-10(7)15/h3-6H,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BCMJMLBXQZCTGM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
312.0068476

> <PUBCHEM_MOLECULAR_FORMULA>
C13H10Cl2N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
313.13

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C(=O)C(=CC2=C(C=CC=C2Cl)Cl)C(=O)N(C1=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C(=O)C(=CC2=C(C=CC=C2Cl)Cl)C(=O)N(C1=O)C

> <PUBCHEM_CACTVS_TPSA>
57.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
312.0068476

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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
13  17  8
16  18  8
17  19  8
18  20  8
19  20  8

$$$$