
 141872-46-0

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M  END

>  <Chemical Name>
141872-46-0

>  <PubChem CID>
192314

>  <Formula>
C23H23N7O2

>  <Molecular Weight>
429.484000

>  <IUPAC Name>
4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=NC=NC=C4C(=O)O

>  <Isomeric SMILES>
CCCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C4=NC=NC=C4C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)

>  <InChI Key>
AHZXSVWCNDLJER-UHFFFAOYSA-N

