
 SCHEMBL2774156

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M  END

>  <Chemical Name>
SCHEMBL2774156

>  <PubChem CID>
136052394

>  <Formula>
C31H23ClN4O5S

>  <Molecular Weight>
599.058000

>  <IUPAC Name>
3-[2-(4-chlorophenyl)-2-oxoethyl]-6-ethyl-1-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]thieno[2,3-d]pyrimidine-2,4-dione

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=CC2=C(S1)N(C(=O)N(C2=O)CC(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C5=CC=CC=C5C6=NOC(=O)N6

>  <Isomeric SMILES>
CCC1=CC2=C(S1)N(C(=O)N(C2=O)CC(=O)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C5=CC=CC=C5C6=NOC(=O)N6

>  <InChI Std. ID>
InChI=1S/C31H23ClN4O5S/c1-2-22-15-25-28(38)35(17-26(37)20-11-13-21(32)14-12-20)31(40)36(29(25)42-22)16-18-7-9-19(10-8-18)23-5-3-4-6-24(23)27-33-30(39)41-34-27/h3-15H,2,16-17H2,1H3,(H,33,34,39)

>  <InChI Key>
BQQNXENLBUEQAV-UHFFFAOYSA-N

