
 A-119637

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M  END

>  <Chemical Name>
A-119637

>  <PubChem CID>
9890547

>  <Formula>
C25H26N4O3S

>  <Molecular Weight>
462.568000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(NC3=O)SC=C4C5=CC=CC=C5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)C4=C(NC3=O)SC=C4C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)

>  <InChI Key>
HLVQBOYEHQRWHG-UHFFFAOYSA-N

