
 SCHEMBL449454

 59 61  0  0  0  0  0  0  0  0999 V2000
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    7.8937    1.2805   -1.5355 C   0  0  0  0  0
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    3.5572   -2.4854    3.0107 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL449454

>  <PubChem CID>
66689294

>  <Formula>
C24H25Cl3N4O3

>  <Molecular Weight>
523.839000

>  <IUPAC Name>
6-(4-chlorobenzoyl)-2-[1-(4-chlorophenyl)propylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(C1=CC=C(C=C1)Cl)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2OC.Cl

>  <Isomeric SMILES>
CCC(C1=CC=C(C=C1)Cl)NC2=NC3=C(CN(CC3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2OC.Cl

>  <InChI Std. ID>
InChI=1S/C24H24Cl2N4O3.ClH/c1-3-20(15-4-8-17(25)9-5-15)27-24-28-21-12-13-29(14-19(21)23(32)30(24)33-2)22(31)16-6-10-18(26)11-7-16;/h4-11,20H,3,12-14H2,1-2H3,(H,27,28);1H

>  <InChI Key>
PCZARCISWBLLJF-UHFFFAOYSA-N

