
 SCHEMBL605565

 39 41  0  0  0  0  0  0  0  0999 V2000
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    2.2410    1.3264    0.4208 C   0  0  0  0  0
    1.0342    1.0679    1.3251 C   0  0  0  0  0
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   -2.4500    0.7989   -0.1401 N   0  0  0  0  0
   -1.3691    1.2878    0.4968 C   0  0  0  0  0
   -1.4616    2.5684    1.0913 N   0  0  0  0  0
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   -2.8533    4.2688    2.2324 C   0  0  0  0  0
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    0.0448    3.4196   -0.1588 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL605565

>  <PubChem CID>
44466876

>  <Formula>
C13H21N5

>  <Molecular Weight>
247.346000

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

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC2=C(CC1)N=C(N=C2N3CCNCC3)N

>  <Isomeric SMILES>
C1CCC2=C(CC1)N=C(N=C2N3CCNCC3)N

>  <InChI Std. ID>
InChI=1S/C13H21N5/c14-13-16-11-5-3-1-2-4-10(11)12(17-13)18-8-6-15-7-9-18/h15H,1-9H2,(H2,14,16,17)

>  <InChI Key>
NLRUBMZDYVYEOE-UHFFFAOYSA-N

