2-butoxy-9-[[3-(chloromethyl)-4-fluoranyl-phenyl]methyl]purin-6-amine

Systemtic Name: 2-butoxy-9-[[3-(chloromethyl)-4-fluoranyl-phenyl]methyl]purin-6-amine Openeye Name: 2-butoxy-9-[[3-(chloromethyl)-4-fluoro-phenyl]methyl]purin-6-amine CAS Name: 2-butoxy-9-[[3-(chloromethyl)-4-fluorophenyl]methyl]-6-purinamine IUPAC Name: 2-butoxy-9-[[3-(chloromethyl)-4-fluorophenyl]methyl]purin-6-amine Traditional Name: [2-butoxy-9-[3-(chloromethyl)-4-fluoro-benzyl]purin-6-yl]amine Formula: C17H19ClFN5O MolecularWeight: 363.817063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)F)CCl

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)F)CCl

InChI

InChI=1S/C17H19ClFN5O/c1-2-3-6-25-17-22-15(20)14-16(23-17)24(10-21-14)9-11-4-5-13(19)12(7-11)8-18/h4-5,7,10H,2-3,6,8-9H2,1H3,(H2,20,22,23)