
 SCHEMBL2194051

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.0736   -1.9352   -1.0256 C   0  0  0  0  0
    2.4985   -1.5308   -0.8530 C   0  0  0  0  0
    3.5032   -2.3724   -1.0578 N   0  0  0  0  0
    4.6115   -1.6286   -0.8957 C   0  0  0  0  0
    4.3329   -0.3313   -0.5718 C   0  0  0  0  0
    2.9523   -0.2264   -0.5649 N   0  0  0  0  0
    2.1649    0.9331   -0.2853 C   0  0  0  0  0
    1.0016    0.7656    0.4923 C   0  0  0  0  0
    0.1667    1.8449    0.7867 C   0  0  0  0  0
    0.4874    3.1134    0.3270 C   0  0  0  0  0
    1.6456    3.3028   -0.4246 C   0  0  0  0  0
    2.4940    2.2266   -0.7482 C   0  0  0  0  0
    3.8825    2.6575   -1.7954 S   0  0  0  0  0
    3.0719    2.5941   -3.4139 C   0  0  0  0  0
    5.3510    0.5619   -0.2934 N   0  0  0  0  0
    6.7204    0.1619   -0.4102 C   0  0  0  0  0
    7.5906    0.9812   -0.1967 O   0  0  0  0  0
    6.9637   -1.2530   -0.7996 C   0  0  0  0  0
    5.9381   -2.0916   -1.0212 C   0  0  0  0  0
    1.0155   -2.8332   -1.6503 H   0  0  0  0  0
    0.4814   -1.1591   -1.5175 H   0  0  0  0  0
    0.6253   -2.1863   -0.0598 H   0  0  0  0  0
    0.7347   -0.1937    0.9290 H   0  0  0  0  0
   -0.7294    1.6955    1.3863 H   0  0  0  0  0
   -0.1593    3.9581    0.5552 H   0  0  0  0  0
    1.8725    4.3112   -0.7706 H   0  0  0  0  0
    2.6388    1.6052   -3.5852 H   0  0  0  0  0
    3.8183    2.7870   -4.1893 H   0  0  0  0  0
    2.2909    3.3552   -3.4839 H   0  0  0  0  0
    5.1514    1.5346   -0.0900 H   0  0  0  0  0
    7.9981   -1.5565   -0.8948 H   0  0  0  0  0
    6.1078   -3.1249   -1.3071 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 19  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 15  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  9 10  2  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 11 12  2  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 15 30  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 31  1  0  0  0
 19 32  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2194051

>  <PubChem CID>
58345648

>  <Formula>
C14H13N3OS

>  <Molecular Weight>
271.338000

>  <IUPAC Name>
2-methyl-3-(2-methylsulfanylphenyl)-4H-imidazo[4,5-b]pyridin-5-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=C(N1C3=CC=CC=C3SC)NC(=O)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(N1C3=CC=CC=C3SC)NC(=O)C=C2

>  <InChI Std. ID>
InChI=1S/C14H13N3OS/c1-9-15-10-7-8-13(18)16-14(10)17(9)11-5-3-4-6-12(11)19-2/h3-8H,1-2H3,(H,16,18)

>  <InChI Key>
FPZMUGVNLHYVAG-UHFFFAOYSA-N

