3236177
  -OEChem-04262409082D

 24 26  0     0  0  0  0  0  0999 V2000
    8.8590   -1.4060    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    1.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -0.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.6012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.1012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -0.0080    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8590    0.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4426   -0.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782    1.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0516    0.7928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6438   -1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0626   -0.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    1.8082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478    2.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  2  0  0  0  0
  3 14  2  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 11  2  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 22  1  0  0  0  0
  8 16  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 12 15  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 23  1  0  0  0  0
 18 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3236177

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
499

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBzsABAAAAAAAAAAAAAAAAAAWIAAAAgAAAAAAAAAEABgAAAHgQUAAAADADl0gaxtJPQAAipAit29gCAEAFFIgApECE+bFKABIhISAAEAIgCFwrAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-isoxazol-3-yl-5-oxo-thiazolo[3,2-a]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-isoxazolyl)-5-oxo-6-thiazolo[3,2-a]pyrimidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1,2-oxazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(1,2-oxazol-3-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(1,2-oxazol-3-yl)-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-isoxazol-3-yl-5-keto-thiazolo[3,2-a]pyrimidine-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6N4O3S/c15-8(12-7-1-3-17-13-7)6-5-11-10-14(9(6)16)2-4-18-10/h1-5H,(H,12,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
MOYQTOIZVLAVJN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0

> <PUBCHEM_EXACT_MASS>
262.01606124

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6N4O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
262.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CON=C1NC(=O)C2=CN=C3N(C2=O)C=CS3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CON=C1NC(=O)C2=CN=C3N(C2=O)C=CS3

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
262.01606124

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
1  11  8
1  15  8
12  15  8
16  17  8
17  18  8
4  18  8
4  8  8
5  10  8
5  11  8
5  12  8
6  11  8
6  13  8
8  16  8
9  10  8
9  13  8

$$$$