
 A-123189

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M  END

>  <Chemical Name>
A-123189

>  <PubChem CID>
9891167

>  <Formula>
C26H28N4O3S

>  <Molecular Weight>
476.595000

>  <IUPAC Name>
3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC(=C1)C2=CSC3=C2C(=O)N(C(=O)N3)CCN4CCN(CC4)C5=CC=CC=C5OC

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C2=CSC3=C2C(=O)N(C(=O)N3)CCN4CCN(CC4)C5=CC=CC=C5OC

>  <InChI Std. ID>
InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)

>  <InChI Key>
PANBMHHKBRMYAL-UHFFFAOYSA-N

