71482
  -OEChem-05102418202D

 29 30  0     0  0  0  0  0  0999 V2000
    2.0000    2.5344    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8335   -0.4271    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -1.3776    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    2.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548   -2.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0946   -1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    1.5344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1936   -1.6883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.7296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    1.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333   -2.5344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3009   -0.0885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411   -0.3082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344   -0.8405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.1544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3054   -3.1410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400   -2.6622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5612   -1.9277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9075   -0.2163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4287    0.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6942    0.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 14  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 17  2  0  0  0  0
 11 13  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
 19 27  1  0  0  0  0
 19 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71482

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
393

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzOAJEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgBgAAAHgYAACAACAbBkia/vpMIFRCoQDJnfISCiCkxZSAB2CAvTpiOJuLFs5vNMihsxxPY6CYwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)oxazolo[4,5-b]pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
6-chloro-3-[(dimethoxyphosphorylthio)methyl]-2-oxazolo[4,5-b]pyridinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

> <PUBCHEM_IUPAC_NAME>
6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-chloranyl-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-chloro-3-[(dimethoxyphosphorylthio)methyl]oxazolo[4,5-b]pyridin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
VNKBTWQZTQIWDV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
323.9736573

> <PUBCHEM_MOLECULAR_FORMULA>
C9H10ClN2O5PS

> <PUBCHEM_MOLECULAR_WEIGHT>
324.68

> <PUBCHEM_OPENEYE_CAN_SMILES>
COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.9736573

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  17  8
11  13  8
13  15  8
15  16  8
16  17  8
4  13  8
4  14  8
9  11  8
9  14  8

$$$$