
 PEXACERFONT

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M  END

>  <Chemical Name>
PEXACERFONT

>  <PubChem CID>
9884366

>  <Formula>
C18H24N6O

>  <Molecular Weight>
340.431000

>  <IUPAC Name>
N-[(2R)-butan-2-yl]-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(C)NC1=NC(=NC2=C(C(=NN21)C)C3=C(N=C(C=C3)OC)C)C

>  <Isomeric SMILES>
CC[C@@H](C)NC1=NC(=NC2=C(C(=NN21)C)C3=C(N=C(C=C3)OC)C)C

>  <InChI Std. ID>
InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1

>  <InChI Key>
LBWQSAZEYIZZCE-SNVBAGLBSA-N

