
 MLS000057790

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M  END

>  <Chemical Name>
MLS000057790

>  <PubChem CID>
2998880

>  <Formula>
C18H13N3O3

>  <Molecular Weight>
319.320000

>  <IUPAC Name>
N-(1,3-benzodioxol-5-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3OC5=CC=CC=C54

>  <Isomeric SMILES>
C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3OC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C18H13N3O3/c1-2-4-13-12(3-1)16-17(24-13)18(21-9-20-16)19-8-11-5-6-14-15(7-11)23-10-22-14/h1-7,9H,8,10H2,(H,19,20,21)

>  <InChI Key>
ACBAKVVEGJKNPL-UHFFFAOYSA-N

