41879612
  -OEChem-04192409272D

 35 36  0     0  0  0  0  0  0999 V2000
    8.9282   -0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 15  1  0  0  0  0
  2 12  1  0  0  0  0
  2 20  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  2  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  1  0  0  0  0
  8 19  2  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 12 14  1  0  0  0  0
 13 14  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  2  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
41879612

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
323

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzsABAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHgQQAAAACADF0ga/lZbIFAioADF3dACC2ClxKrAJ2Dg+bJiMLeLk+dmEJChrkQ7o6CYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4,6-dimethoxypyrimidin-2-yl)-2-(2-pyridylsulfanyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4,6-dimethoxy-2-pyrimidinyl)-2-(2-pyridinylthio)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide

> <PUBCHEM_IUPAC_NAME>
N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-2-ylsulfanylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4,6-dimethoxypyrimidin-2-yl)-2-pyridin-2-ylsulfanyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4,6-dimethoxypyrimidin-2-yl)-2-(2-pyridylthio)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H14N4O3S/c1-19-10-7-11(20-2)17-13(16-10)15-9(18)8-21-12-5-3-4-6-14-12/h3-7H,8H2,1-2H3,(H,15,16,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
AWYQQTLMNZLDMJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
306.07866149

> <PUBCHEM_MOLECULAR_FORMULA>
C13H14N4O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
306.34

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=NC(=N1)NC(=O)CSC2=CC=CC=N2)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=NC(=N1)NC(=O)CSC2=CC=CC=N2)OC

> <PUBCHEM_CACTVS_TPSA>
112

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
306.07866149

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
12  14  8
13  14  8
15  16  8
16  17  8
17  18  8
18  19  8
6  10  8
6  12  8
7  10  8
7  13  8
8  15  8
8  19  8

$$$$