Ketcher 03061914152D 1   1.00000     0.00000     0

 22 24  0     0  0            999 V2000
   10.3926  -27.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2584  -26.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2584  -25.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245  -25.3193    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245  -24.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9905  -23.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9905  -22.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9416  -22.5104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5293  -23.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5293  -23.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0293  -24.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0293  -24.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5293  -23.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5292  -23.3193    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.0292  -24.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0293  -22.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0293  -22.4532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9416  -24.1283    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245  -22.3193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2584  -22.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2584  -23.8193    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245  -27.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 13 16  1  0     0  0
 16 17  2  0     0  0
 10 17  1  0     0  0
  9 18  1  0     0  0
  6 18  1  0     0  0
  7 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
  5 21  1  0     0  0
  2 22  2  0     0  0
M  END
> <ID>
CHEBI:143111

> <NAME>
({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid

> <DEFINITION>
A thienopyrimidine that is thieno[3,2-d]pyrimidine which is substituted by a (carboxymethyl)sulfanediyl group at position 4 and by a 4-(methylsulfanyl)phenyl group at position 6. It is a STK17B kinase inhibitor.

> <STAR>
3

> <SYNONYM>
UNC-AP-141

> <IUPAC_NAME>
({6-[4-(methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl}sulfanyl)acetic acid

> <FORMULA>
C15H12N2O2S3

> <MASS>
348.450

> <MONOISOTOPIC_MASS>
348.00609

> <CHARGE>
0

> <SMILES>
OC(CSC1=C2C(C=C(C3=CC=C(SC)C=C3)S2)=NC=N1)=O

> <INCHI>
InChI=1S/C15H12N2O2S3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)

> <INCHIKEY>
KJCQGDBVLKOAHP-UHFFFAOYSA-N

> <PUBMED_CITATION>
21862328

$$$$