
 SCHEMBL607364

 49 52  0  0  0  0  0  0  0  0999 V2000
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    0.6217   -3.1089    0.7092 N   0  0  0  0  0
    0.8730   -3.5195    2.1078 C   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL607364

>  <PubChem CID>
44466589

>  <Formula>
C19H25N5

>  <Molecular Weight>
323.444000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(CC2=C(C1)C(=NC(=N2)N)N3CCNCC3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CC(CC2=C(C1)C(=NC(=N2)N)N3CCNCC3)C4=CC=CC=C4

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

>  <InChI Key>
LBDWDJPSKODCQY-UHFFFAOYSA-N

