
 SCHEMBL604979

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M  END

>  <Chemical Name>
SCHEMBL604979

>  <PubChem CID>
44466875

>  <Formula>
C19H26N6

>  <Molecular Weight>
338.459000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=NC=CC(=C1)C2CCCCC3=C2N=C(N=C3N4CCNCC4)N

>  <Isomeric SMILES>
CC1=NC=CC(=C1)C2CCCCC3=C2N=C(N=C3N4CCNCC4)N

>  <InChI Std. ID>
InChI=1S/C19H26N6/c1-13-12-14(6-7-22-13)15-4-2-3-5-16-17(15)23-19(20)24-18(16)25-10-8-21-9-11-25/h6-7,12,15,21H,2-5,8-11H2,1H3,(H2,20,23,24)

>  <InChI Key>
JNRNKONQFXPTCK-UHFFFAOYSA-N

