58445422
  -OEChem-04272400352D

 78 74  0     1  0  0  0  0  0999 V2000
    5.3463   -2.2378    0.0000 Pt  0  0  0  0  0  0  0  0  0  0  0  0
    3.7879   -5.2226    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1727   -1.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8463   -3.1038    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3464   -3.9699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520   -3.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540   -3.7226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5451   -0.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7400   -2.1874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200   -3.2226    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.4066   -1.8958    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    6.2860   -2.5798    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.8463   -3.1038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3860   -4.7226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3860   -3.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540   -3.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299   -0.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0972   -1.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8719    0.4527    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4392   -0.4817    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6540   -4.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200   -5.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2291    1.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8567    0.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7964    0.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4240   -0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2443    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5712    2.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7660    0.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0668   -1.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6015    1.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    2.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7508    0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0516   -0.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9436    2.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3936    0.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008    3.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    4.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3784    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.2226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6276    4.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3847   -0.6704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0047   -0.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0081   -1.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9317   -2.2943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610   -2.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960   -3.1168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0840    1.0353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6513    0.1009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9229   -5.0326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5200   -5.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9644    0.0158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4673    0.7340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7491    1.2370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2714    0.6829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3979    0.7593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3215   -0.1142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0323    0.4625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1817    2.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3675    1.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8547   -1.6567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910    1.7035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1404    3.5071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9629    1.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4501   -1.3754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7638    3.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9022    3.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413    3.9816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4861   -0.3977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9890    0.3206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2708    0.8235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    5.6212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    5.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250    4.8241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7353    4.0197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382    4.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5199    5.2408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  3 18  1  0  0  0  0
  3 43  1  0  0  0  0
  4 19  1  0  0  0  0
  4 44  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  7 16  2  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 19  2  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 47  1  0  0  0  0
 13 48  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 51  1  0  0  0  0
 17 22  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 25  1  0  0  0  0
 20 49  1  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  2  0  0  0  0
 23 52  1  0  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 26 57  1  0  0  0  0
 26 58  1  0  0  0  0
 27 30  2  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
 28 59  1  0  0  0  0
 29 33  2  0  0  0  0
 29 60  1  0  0  0  0
 30 34  1  0  0  0  0
 30 61  1  0  0  0  0
 31 35  2  0  0  0  0
 31 62  1  0  0  0  0
 32 36  2  0  0  0  0
 32 63  1  0  0  0  0
 33 36  1  0  0  0  0
 33 64  1  0  0  0  0
 34 37  2  0  0  0  0
 34 65  1  0  0  0  0
 35 37  1  0  0  0  0
 35 66  1  0  0  0  0
 36 38  1  0  0  0  0
 37 40  1  0  0  0  0
 38 39  1  0  0  0  0
 38 67  1  0  0  0  0
 38 68  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
 39 69  1  0  0  0  0
 40 70  1  0  0  0  0
 40 71  1  0  0  0  0
 40 72  1  0  0  0  0
 41 73  1  0  0  0  0
 41 74  1  0  0  0  0
 41 75  1  0  0  0  0
 42 76  1  0  0  0  0
 42 77  1  0  0  0  0
 42 78  1  0  0  0  0
M  CHG  4   5  -1  11  -1  12  -1  13  -1
M  END
> <PUBCHEM_COMPOUND_CID>
58445422

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
831

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
13

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7vQAAAAAAAAAABAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHwAUCAAADQDBmAQzCILAQgCJAiHWWQCCAAAgAAAIiIEIAMiIIDKAFRCAYAAsxyMIiMeIyOCOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
azanide;5-fluoro-1H-pyrimidin-3-ide-2,4-dione;2-(4-isobutylphenyl)propanoic acid;platinum;2-(p-tolyl)propanoic acid;nitrite

> <PUBCHEM_IUPAC_CAS_NAME>
azanide;5-fluoro-1H-pyrimidin-3-ide-2,4-dione;2-(4-methylphenyl)propanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid;platinum;nitrite

> <PUBCHEM_IUPAC_NAME_MARKUP>
azanide;5-fluoro-1<I>H</I>-pyrimidin-3-ide-2,4-dione;2-(4-methylphenyl)propanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid;platinum;nitrite

> <PUBCHEM_IUPAC_NAME>
azanide;5-fluoro-1H-pyrimidin-3-ide-2,4-dione;2-(4-methylphenyl)propanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid;platinum;nitrite

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azanide;5-fluoranyl-1H-pyrimidin-3-ide-2,4-dione;2-(4-methylphenyl)propanoic acid;2-[4-(2-methylpropyl)phenyl]propanoic acid;platinum;nitrite

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
azanide;5-fluoro-1H-pyrimidin-3-ide-2,4-quinone;2-(4-isobutylphenyl)propionic acid;platinum;2-(p-tolyl)propionic acid;nitrite

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H18O2.C10H12O2.C4H3FN2O2.HNO2.2H2N.Pt/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-7-3-5-9(6-4-7)8(2)10(11)12;5-2-1-6-4(9)7-3(2)8;2-1-3;;;/h4-7,9-10H,8H2,1-3H3,(H,14,15);3-6,8H,1-2H3,(H,11,12);1H,(H2,6,7,8,9);(H,2,3);2*1H2;/q;;;;2*-1;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
VCTKHMSBACNCTN-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
772.219586

> <PUBCHEM_MOLECULAR_FORMULA>
C27H36FN5O8Pt-4

> <PUBCHEM_MOLECULAR_WEIGHT>
772.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC=C(C=C1)C(C)C(=O)O.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1=C(C(=O)[N-]C(=O)N1)F.[NH2-].[NH2-].N(=O)[O-].[Pt]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC=C(C=C1)C(C)C(=O)O.CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1=C(C(=O)[N-]C(=O)N1)F.[NH2-].[NH2-].N(=O)[O-].[Pt]

> <PUBCHEM_CACTVS_TPSA>
176

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
772.219586

> <PUBCHEM_TOTAL_CHARGE>
-4

> <PUBCHEM_HEAVY_ATOM_COUNT>
42

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  11  6
1  12  6
1  13  6
1  14  6
1  3  6
1  4  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  16  8
11  17  8
15  16  8
15  23  8
17  22  8
20  25  3
21  26  3
22  23  8
24  28  8
24  29  8
27  30  8
27  31  8
28  32  8
29  33  8
30  34  8
31  35  8
32  36  8
33  36  8
34  37  8
35  37  8

$$$$