70674286
  -OEChem-05042407502D

 56 56  0     0  0  0  0  0  0999 V2000
    0.0000    3.2024    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.9282    8.2024    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.7024    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    1.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.7024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8418    1.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.2024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0610   10.8224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.7024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.2024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0327    0.2079    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0109    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    2.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    0.8364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    1.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    6.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    7.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    6.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5109    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    8.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5054    0.9706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3671    2.2585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1401    3.1054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2932    2.8785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2932    1.1464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5201    0.2995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671    0.5264    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    0.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9781    0.7024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2181    0.7024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.8924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520    6.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8535    6.0948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    8.0124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    5.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    8.8224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.3924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5702    0.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1220    1.0354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4406    1.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5979   11.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241   11.1324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 33  1  0  0  0  0
  3 22  1  0  0  0  0
  4 19  2  0  0  0  0
  5 23  2  0  0  0  0
  6 25  1  0  0  0  0
  6 30  1  0  0  0  0
  7 24  2  0  0  0  0
  8 55  1  0  0  0  0
  8 56  1  0  0  0  0
  9 15  1  0  0  0  0
  9 23  1  0  0  0  0
  9 41  1  0  0  0  0
 10 16  1  0  0  0  0
 10 19  1  0  0  0  0
 10 21  1  0  0  0  0
 11 16  2  0  0  0  0
 11 20  1  0  0  0  0
 12 24  1  0  0  0  0
 12 26  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  2  0  0  0  0
 14 30  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 22  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 48  1  0  0  0  0
 29 32  2  0  0  0  0
 29 49  1  0  0  0  0
 30 34  1  0  0  0  0
 31 33  2  0  0  0  0
 31 50  1  0  0  0  0
 32 33  1  0  0  0  0
 32 51  1  0  0  0  0
 34 52  1  0  0  0  0
 34 53  1  0  0  0  0
 34 54  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70674286

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
843

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <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;hydrate

> <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;hydrate

> <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;hydrate

> <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;hydrate

> <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;hydrate

> <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;hydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H21FN6O5.K.H2O/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);;1H2/q;+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
XKRGSYWGSBRBAJ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
500.12219209

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22FKN6O6

> <PUBCHEM_MOLECULAR_WEIGHT>
500.5

> <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.[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.[K+]

> <PUBCHEM_CACTVS_TPSA>
154

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
500.12219209

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
10  19  8
11  16  8
11  20  8
13  14  8
13  25  8
14  30  8
19  22  8
20  22  8
27  28  8
27  29  8
28  31  8
29  32  8
31  33  8
32  33  8
6  25  8
6  30  8

$$$$