70684736
  -OEChem-04252423442D

 48 50  0     1  0  0  0  0  0999 V2000
    7.1893   -0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7912    2.5083    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.8949   -4.5568    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6893   -0.8785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1893   -0.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    3.0222    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.7912    1.4667    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1893    0.9875    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4572    0.9875    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4412    4.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7088   -0.0471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213   -0.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553   -0.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213    0.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0553    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3232    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3232    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4572    2.9875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5912    1.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332    2.9944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5912    2.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2413    4.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6972    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3392    4.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8486   -0.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -1.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319   -2.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7435   -3.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0116   -3.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8833   -3.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1334   -0.5951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6568   -0.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4538   -0.9874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    0.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1334    1.5701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4538    1.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6568    1.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7666    2.6782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7794    4.3439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    5.1768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6298    0.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2393   -0.6718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2652   -1.7308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595   -1.7632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840   -3.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782   -3.3831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  3 31  1  0  0  0  0
  6 21  1  0  0  0  0
  7 23  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 16  2  0  0  0  0
  9 19  1  0  0  0  0
 10 18  1  0  0  0  0
 10 24  2  0  0  0  0
 11 23  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 20 22  2  0  0  0  0
 20 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 45  1  0  0  0  0
 28 30  2  0  0  0  0
 28 46  1  0  0  0  0
 29 31  2  0  0  0  0
 29 47  1  0  0  0  0
 30 31  1  0  0  0  0
 30 48  1  0  0  0  0
M  CHG  3   2   2   6  -1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70684736

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
723

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uQBAACAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAACx/AAAHwQAQAAADAzF3gy99vIIEAKgAzZnZHTCgCkxYiAJ2CA9bJiKJ+LA2dOENAhtwBPYyCewwLAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-oxido-1,6-naphthyridine-7-carboximidate

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;5-(1,1-dioxo-2-thiazinanyl)-N-[(4-fluorophenyl)methyl]-8-oxido-1,6-naphthyridine-7-carboximidate

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;5-(1,1-dioxothiazinan-2-yl)-<I>N</I>-[(4-fluorophenyl)methyl]-8-oxido-1,6-naphthyridine-7-carboximidate

> <PUBCHEM_IUPAC_NAME>
magnesium;5-(1,1-dioxothiazinan-2-yl)-N-[(4-fluorophenyl)methyl]-8-oxido-1,6-naphthyridine-7-carboximidate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-N-[(4-fluorophenyl)methyl]-8-oxidanidyl-1,6-naphthyridine-7-carboximidate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;5-(1,1-diketothiazinan-2-yl)-N-(4-fluorobenzyl)-8-oxido-1,6-naphthyridine-7-carboximidate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19FN4O4S.Mg/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29;/h3-9,26H,1-2,10-12H2,(H,23,27);/q;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
KTBDJFFJSTXOGW-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
452.0804961

> <PUBCHEM_MOLECULAR_FORMULA>
C20H17FMgN4O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
452.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCS(=O)(=O)N(C1)C2=NC(=C(C3=C2C=CC=N3)[O-])C(=NCC4=CC=C(C=C4)F)[O-].[Mg+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCS(=O)(=O)N(C1)C2=NC(=C(C3=C2C=CC=N3)[O-])C(=NCC4=CC=C(C=C4)F)[O-].[Mg+2]

> <PUBCHEM_CACTVS_TPSA>
130

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
452.0804961

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  18  8
10  24  8
16  17  8
17  18  8
17  20  8
18  21  8
19  21  8
20  22  8
22  24  8
26  27  8
26  28  8
27  29  8
28  30  8
29  31  8
30  31  8
9  16  8
9  19  8

$$$$