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

Systemtic Name: 9-[[2,6-bis(fluoranyl)-3-methyl-phenyl]methyl]-2-butoxy-purin-6-amine Openeye Name: 2-butoxy-9-[(2,6-difluoro-3-methyl-phenyl)methyl]purin-6-amine CAS Name: 2-butoxy-9-[(2,6-difluoro-3-methylphenyl)methyl]-6-purinamine IUPAC Name: 2-butoxy-9-[(2,6-difluoro-3-methylphenyl)methyl]purin-6-amine Traditional Name: [2-butoxy-9-(2,6-difluoro-3-methyl-benzyl)purin-6-yl]amine Formula: C17H19F2N5O MolecularWeight: 347.362466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC(=C3F)C)F

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=C(C=CC(=C3F)C)F

InChI

InChI=1S/C17H19F2N5O/c1-3-4-7-25-17-22-15(20)14-16(23-17)24(9-21-14)8-11-12(18)6-5-10(2)13(11)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,20,22,23)