
 SCHEMBL2511200

 57 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2511200

>  <PubChem CID>
67434539

>  <Formula>
C21H26Cl2N6O2

>  <Molecular Weight>
465.379000

>  <IUPAC Name>
1-[4-[8-(2-chlorophenyl)-9-(2-methoxyethyl)-2-methylpurin-6-yl]piperazin-1-yl]ethanone;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C)N=C(N2CCOC)C4=CC=CC=C4Cl.Cl

>  <Isomeric SMILES>
CC1=NC2=C(C(=N1)N3CCN(CC3)C(=O)C)N=C(N2CCOC)C4=CC=CC=C4Cl.Cl

>  <InChI Std. ID>
InChI=1S/C21H25ClN6O2.ClH/c1-14-23-20(27-10-8-26(9-11-27)15(2)29)18-21(24-14)28(12-13-30-3)19(25-18)16-6-4-5-7-17(16)22;/h4-7H,8-13H2,1-3H3;1H

>  <InChI Key>
FZXBQRPZKNXVPY-UHFFFAOYSA-N

