70674287
  -OEChem-05042401502D

 59 58  0     0  0  0  0  0  0999 V2000
    3.0739    3.2024    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
   10.0021    8.2024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    3.7024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9399    1.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    2.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9156    1.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    5.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1349   10.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    1.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    3.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    5.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1066    0.2079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0848    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9040    2.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    3.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    6.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5848    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    7.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    6.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    8.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    7.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5793    0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4409    2.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2140    3.1054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    2.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3671    1.1464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5940    0.2995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409    0.5264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    0.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520    0.7024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2920    0.7024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    4.8924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259    6.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9274    6.0948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    5.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    8.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6730    6.3924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    8.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6441    0.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1959    1.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5145    1.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    5.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6718   11.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979   11.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 34  1  0  0  0  0
  3 23  1  0  0  0  0
  4 20  2  0  0  0  0
  5 24  2  0  0  0  0
  6 26  1  0  0  0  0
  6 29  1  0  0  0  0
  7 25  2  0  0  0  0
  8 56  1  0  0  0  0
  8 57  1  0  0  0  0
  9 58  1  0  0  0  0
  9 59  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 10 42  1  0  0  0  0
 11 17  1  0  0  0  0
 11 20  1  0  0  0  0
 11 22  1  0  0  0  0
 12 17  2  0  0  0  0
 12 21  1  0  0  0  0
 13 25  1  0  0  0  0
 13 27  1  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  2  0  0  0  0
 15 29  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 23  1  0  0  0  0
 21 23  2  0  0  0  0
 21 25  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 35  1  0  0  0  0
 30 32  1  0  0  0  0
 30 49  1  0  0  0  0
 31 33  2  0  0  0  0
 31 50  1  0  0  0  0
 32 34  2  0  0  0  0
 32 51  1  0  0  0  0
 33 34  1  0  0  0  0
 33 52  1  0  0  0  0
 35 53  1  0  0  0  0
 35 54  1  0  0  0  0
 35 55  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70674287

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
843

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uQAAQAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAAABwAAAHwAYCAAADIzBmgwzAIPABECqAidydAKSAAEqIAAbiID4BMgKYCKAmTWfIAhgngCYiUcQgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[1-methyl-1-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]ethyl]-6-oxo-pyrimidin-5-olate;dihydrate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;4-[[(4-fluorophenyl)methylamino]-oxomethyl]-1-methyl-2-[2-[[(5-methyl-1,3,4-oxadiazol-2-yl)-oxomethyl]amino]propan-2-yl]-6-oxo-5-pyrimidinolate;dihydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate;dihydrate

> <PUBCHEM_IUPAC_NAME>
potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxopyrimidin-5-olate;dihydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;4-[(4-fluorophenyl)methylcarbamoyl]-1-methyl-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)carbonylamino]propan-2-yl]-6-oxidanylidene-pyrimidin-5-olate;dihydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;4-[(4-fluorobenzyl)carbamoyl]-6-keto-1-methyl-2-[1-methyl-1-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]ethyl]pyrimidin-5-olate;dihydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21FN6O5.K.2H2O/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11;;;/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30);;2*1H2/q;+1;;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
XKUOOZXYINKKSS-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
518.13275677

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24FKN6O7

> <PUBCHEM_MOLECULAR_WEIGHT>
518.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.O.O.[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)[O-])C(=O)NCC3=CC=C(C=C3)F.O.O.[K+]

> <PUBCHEM_CACTVS_TPSA>
155

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
518.13275677

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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_NONSTANDARDBOND>
1  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  17  8
11  20  8
12  17  8
12  21  8
14  15  8
14  26  8
15  29  8
20  23  8
21  23  8
28  30  8
28  31  8
30  32  8
31  33  8
32  34  8
33  34  8
6  26  8
6  29  8

$$$$