26033
  -OEChem-05102419362D

 44 45  0     0  0  0  0  0  0999 V2000
    7.6279    1.8170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939    1.3170    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    0.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9939    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600    0.8170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.3538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3600   -0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4939    3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260   -0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6029    1.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    1.9879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.7610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    0.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8863    1.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5765    1.9710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7494   -0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1479   -0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.4664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309    2.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8039    3.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9570    3.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9160   -1.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7629   -0.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5360   -0.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 15  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 18  1  0  0  0  0
  6 21  1  0  0  0  0
  7 18  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  2  0  0  0  0
 10 15  2  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 19 22  1  0  0  0  0
 19 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 23  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 24  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
26033

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
473

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOAJAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB4AAAHgAIACAADAjhnwY/vJ4IFRCqAzb3bACQhCs1oqAVWCE+bFiALthA6MgGlYhOCArAYeAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 2-diethoxyphosphinothioyloxy-5-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
2-diethoxyphosphinothioyloxy-5-methyl-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

> <PUBCHEM_IUPAC_NAME>
ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 2-diethoxyphosphinothioyloxy-5-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-diethoxythiophosphoryloxy-5-methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
JOOMJVFZQRQWKR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
373.08612892

> <PUBCHEM_MOLECULAR_FORMULA>
C14H20N3O5PS

> <PUBCHEM_MOLECULAR_WEIGHT>
373.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C

> <PUBCHEM_CACTVS_TPSA>
116

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.08612892

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  15  8
11  16  8
12  13  8
12  14  8
15  16  8
8  10  8
8  11  8
8  13  8
9  11  8
9  14  8

$$$$