
 CHEMBL400861

 55 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL400861

>  <PubChem CID>
44443583

>  <Formula>
C19H29N5O2

>  <Molecular Weight>
359.474000

>  <IUPAC Name>
2-N-(1,3-dimethoxypropan-2-yl)-3,6-diethyl-5-N-(4-methylpyridin-2-yl)pyrazine-2,5-diamine

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC1=C(N=C(C(=N1)NC(COC)COC)CC)NC2=NC=CC(=C2)C

>  <Isomeric SMILES>
CCC1=C(N=C(C(=N1)NC(COC)COC)CC)NC2=NC=CC(=C2)C

>  <InChI Std. ID>
InChI=1S/C19H29N5O2/c1-6-15-18(21-14(11-25-4)12-26-5)22-16(7-2)19(23-15)24-17-10-13(3)8-9-20-17/h8-10,14H,6-7,11-12H2,1-5H3,(H,21,22)(H,20,23,24)

>  <InChI Key>
APLSMHUKAJIEEJ-UHFFFAOYSA-N

