24789790
  -OEChem-05032420282D

 46 48  0     0  0  0  0  0  0999 V2000
    8.0622   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065   -2.3047    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065   -0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9171    0.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7522   -1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3722   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8101   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5065    0.0626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1097    0.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3278    0.4479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  8  1  0  0  0  0
  1 16  1  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6 17  2  0  0  0  0
  7 19  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 18  1  0  0  0  0
 11 20  2  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 18 22  1  0  0  0  0
 21 23  2  0  0  0  0
 21 24  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24789790

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
833

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzuABgAAAAAAAAAAAAAAAAAQAAAAAsQAAAAAAAAEAAAAAAHgQAQAAACAjlwAaDCAMABAqoAAVSfHDAEAFAAgABCAAIAEAAQAAACQAYAAAABgCAAUAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 4-(3,7-dimethyl-5-oxo-thiazolo[3,2-a]pyrimidin-6-yl)sulfonylpiperazine-1-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(3,7-dimethyl-5-oxo-6-thiazolo[3,2-a]pyrimidinyl)sulfonyl]-1-piperazinecarboxylic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate

> <PUBCHEM_IUPAC_NAME>
ethyl 4-[(3,7-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 4-[(3,7-dimethyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)sulfonyl]piperazine-1-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(5-keto-3,7-dimethyl-thiazolo[3,2-a]pyrimidin-6-yl)sulfonylpiperazine-1-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20N4O5S2/c1-4-24-15(21)17-5-7-18(8-6-17)26(22,23)12-11(3)16-14-19(13(12)20)10(2)9-25-14/h9H,4-8H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
HJJOGIXSRFOXEH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.3

> <PUBCHEM_EXACT_MASS>
400.08751210

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20N4O5S2

> <PUBCHEM_MOLECULAR_WEIGHT>
400.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(N=C3N(C2=O)C(=CS3)C)C

> <PUBCHEM_CACTVS_TPSA>
133

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
400.08751210

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  19  8
10  20  8
10  21  8
11  18  8
11  20  8
16  18  8
16  19  8
2  20  8
2  23  8
21  23  8

$$$$