
 SCHEMBL606676

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M  END

>  <Chemical Name>
SCHEMBL606676

>  <PubChem CID>
25129169

>  <Formula>
C19H25N5

>  <Molecular Weight>
323.444000

>  <IUPAC Name>
9-phenyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC2=C(C(C1)C3=CC=CC=C3)N=C(N=C2N4CCNCC4)N

>  <Isomeric SMILES>
C1CCC2=C(C(C1)C3=CC=CC=C3)N=C(N=C2N4CCNCC4)N

>  <InChI Std. ID>
InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)

>  <InChI Key>
LTSQOGQDXSXTPV-UHFFFAOYSA-N

