N-butyl-9-[(2-fluorophenyl)methyl]purin-6-amine chloride

Systemtic Name: N-butyl-9-[(2-fluorophenyl)methyl]purin-6-amine chloride Openeye Name: N-butyl-9-[(2-fluorophenyl)methyl]purin-6-amine chloride CAS Name: N-butyl-9-[(2-fluorophenyl)methyl]-6-purinamine chloride IUPAC Name: N-butyl-9-[(2-fluorophenyl)methyl]purin-6-amine chloride Traditional Name: butyl-[9-(2-fluorobenzyl)purin-6-yl]amine chloride Formula: C16H18ClFN5- MolecularWeight: 334.799023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC=NC2=C1N=CN2CC3=CC=CC=C3F.[Cl-]

Isomeric SMILES

CCCCNC1=NC=NC2=C1N=CN2CC3=CC=CC=C3F.[Cl-]

InChI

InChI=1S/C16H18FN5.ClH/c1-2-3-8-18-15-14-16(20-10-19-15)22(11-21-14)9-12-6-4-5-7-13(12)17;/h4-7,10-11H,2-3,8-9H2,1H3,(H,18,19,20);1H/p-1