8941
  -OEChem-05082409582D

 37 36  0     1  0  0  0  0  0999 V2000
    4.5981   -4.3481    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8481    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8481    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2320    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.0179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    3.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -0.3806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    0.4165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    1.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    0.4854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8147    0.2300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    0.6285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    1.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    2.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    3.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571    2.2175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    0.6379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    0.0179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320   -0.6021    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    3.0835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070    3.8806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    4.8850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    4.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4 17  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 34  1  0  0  0  0
  6 13  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 15  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
8941

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMCAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQAAAADgCBgAADAALAAAAoAAEQNAAAAAEAAAABAAEAAAEAABoIyAAEAAAAAAAAAAEYiMCPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;5-ethyl-5-hexyl-4,6-dioxo-1H-pyrimidin-2-olate

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;5-ethyl-5-hexyl-4,6-dioxo-1H-pyrimidin-2-olate

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;5-ethyl-5-hexyl-4,6-dioxo-1<I>H</I>-pyrimidin-2-olate

> <PUBCHEM_IUPAC_NAME>
sodium;5-ethyl-5-hexyl-4,6-dioxo-1H-pyrimidin-2-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;5-ethyl-5-hexyl-4,6-bis(oxidanylidene)-1H-pyrimidin-2-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;5-ethyl-5-hexyl-4,6-diketo-1H-pyrimidin-2-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H20N2O3.Na/c1-3-5-6-7-8-12(4-2)9(15)13-11(17)14-10(12)16;/h3-8H2,1-2H3,(H2,13,14,15,16,17);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
HXUAXLUDTCGASZ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
262.12933675

> <PUBCHEM_MOLECULAR_FORMULA>
C12H19N2NaO3

> <PUBCHEM_MOLECULAR_WEIGHT>
262.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+]

> <PUBCHEM_CACTVS_TPSA>
81.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.12933675

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  8  3

$$$$