
 CHEMBL408489

 65 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL408489

>  <PubChem CID>
44298514

>  <Formula>
C23H32N6O3S

>  <Molecular Weight>
472.608000

>  <IUPAC Name>
N-[2-(dimethylamino)ethyl]-2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetamide

>  <XlogP>
4.300

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN(C)C

>  <Isomeric SMILES>
CCCN1C2=C(C(=O)N(C1=S)CCC)NC(=N2)C3=CC=C(C=C3)OCC(=O)NCCN(C)C

>  <InChI Std. ID>
InChI=1S/C23H32N6O3S/c1-5-12-28-21-19(22(31)29(13-6-2)23(28)33)25-20(26-21)16-7-9-17(10-8-16)32-15-18(30)24-11-14-27(3)4/h7-10H,5-6,11-15H2,1-4H3,(H,24,30)(H,25,26)

>  <InChI Key>
ANEUXSXXVOAESW-UHFFFAOYSA-N

