9-[[2,6-bis(fluoranyl)-3-methyl-phenyl]methyl]-2-butoxy-N-(phenylmethyl)purin-6-amine

Systemtic Name: 9-[[2,6-bis(fluoranyl)-3-methyl-phenyl]methyl]-2-butoxy-N-(phenylmethyl)purin-6-amine Openeye Name: N-benzyl-2-butoxy-9-[(2,6-difluoro-3-methyl-phenyl)methyl]purin-6-amine CAS Name: 2-butoxy-9-[(2,6-difluoro-3-methylphenyl)methyl]-N-(phenylmethyl)-6-purinamine IUPAC Name: N-benzyl-2-butoxy-9-[(2,6-difluoro-3-methylphenyl)methyl]purin-6-amine Traditional Name: benzyl-[2-butoxy-9-(2,6-difluoro-3-methyl-benzyl)purin-6-yl]amine Formula: C24H25F2N5O MolecularWeight: 437.485006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2CC4=C(C=CC(=C4F)C)F

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2CC4=C(C=CC(=C4F)C)F

InChI

InChI=1S/C24H25F2N5O/c1-3-4-12-32-24-29-22(27-13-17-8-6-5-7-9-17)21-23(30-24)31(15-28-21)14-18-19(25)11-10-16(2)20(18)26/h5-11,15H,3-4,12-14H2,1-2H3,(H,27,29,30)