644417
  -OEChem-04252423532D

 49 51  0     0  0  0  0  0  0999 V2000
    6.2619    0.2601    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -2.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619    1.9921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    0.2601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.5447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.0648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.9921    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -1.7014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    1.9921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2566   -2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619    2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619    2.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -1.5825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -2.1148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -1.6140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -1.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8695    1.7367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    1.3382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.0701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    2.5290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    0.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    3.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288   -3.4648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8633   -2.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3845   -2.2515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719    0.5892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719    3.3951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8695    3.4687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1793    3.0702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619    2.2381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3819    2.8581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619    3.4781    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 13  1  0  0  0  0
  2 23  1  0  0  0  0
  3 22  1  0  0  0  0
  3 26  1  0  0  0  0
  4 18  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 37  1  0  0  0  0
  9 13  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 12  2  0  0  0  0
 12 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 38  1  0  0  0  0
 21 25  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
644417

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
462

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sABAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB/AAAHgQQAAAACAzl1wa/9r/MFAioATd3dACC2C1xMrAJ2CA+fJiObuLEuZuXOCjs1BPY6CewQAAAAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-ethoxyphenyl)-2-[[3-(2-methoxyethyl)-2-imidazo[4,5-b]pyridinyl]thio]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

> <PUBCHEM_IUPAC_NAME>
N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-ethoxyphenyl)-2-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]sulfanyl-ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]thio]-N-p-phenetyl-acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N4O3S/c1-3-26-15-8-6-14(7-9-15)21-17(24)13-27-19-22-16-5-4-10-20-18(16)23(19)11-12-25-2/h4-10H,3,11-13H2,1-2H3,(H,21,24)

> <PUBCHEM_IUPAC_INCHIKEY>
XZDMWZWNGUGATF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
386.14126175

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N4O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
386.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CCOC)N=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(N2CCOC)N=CC=C3

> <PUBCHEM_CACTVS_TPSA>
104

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.14126175

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  12  8
12  14  8
14  16  8
16  17  8
19  20  8
19  21  8
20  24  8
21  25  8
22  24  8
22  25  8
5  10  8
5  11  8
6  11  8
6  12  8
7  10  8
7  17  8

$$$$