70674828
  -OEChem-04252403192D

 13 10  0     0  0  0  0  0  0999 V2000
    7.1962   -1.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
M  CHG  6   1   1   2   1   3   1   4  -1   5  -1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70674828

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
89.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjMDAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAAAAACACBkgAxlJYIEACgACBiZACAgCkBIqABECA2bBCADQBASEAEBAgLAA5AACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trisodium;pyrimidine-2,4,6-triolate

> <PUBCHEM_IUPAC_CAS_NAME>
trisodium;pyrimidine-2,4,6-triolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
trisodium;pyrimidine-2,4,6-triolate

> <PUBCHEM_IUPAC_NAME>
trisodium;pyrimidine-2,4,6-triolate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trisodium;pyrimidine-2,4,6-triolate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trisodium;pyrimidine-2,4,6-triolate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H4N2O3.3Na/c7-2-1-3(8)6-4(9)5-2;;;/h1H,(H3,5,6,7,8,9);;;/q;3*+1/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
VLZCCMFLBLKEEI-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
193.96802474

> <PUBCHEM_MOLECULAR_FORMULA>
C4HN2Na3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
194.03

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C(N=C(N=C1[O-])[O-])[O-].[Na+].[Na+].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C(N=C(N=C1[O-])[O-])[O-].[Na+].[Na+].[Na+]

> <PUBCHEM_CACTVS_TPSA>
95

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
193.96802474

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
7  10  8
7  12  8
8  11  8
8  12  8
9  10  8
9  11  8

$$$$