9-[(4-fluorophenyl)methyl]-N-(3-methylpiperidin-4-yl)purin-8-amine dihydrobromide

Systemtic Name: 9-[(4-fluorophenyl)methyl]-N-(3-methylpiperidin-4-yl)purin-8-amine dihydrobromide Openeye Name: 9-[(4-fluorophenyl)methyl]-N-(3-methyl-4-piperidyl)purin-8-amine dihydrobromide CAS Name: 9-[(4-fluorophenyl)methyl]-N-(3-methyl-4-piperidinyl)-8-purinamine dihydrobromide IUPAC Name: 9-[(4-fluorophenyl)methyl]-N-(3-methylpiperidin-4-yl)purin-8-amine dihydrobromide Traditional Name: [9-(4-fluorobenzyl)purin-8-yl]-(3-methyl-4-piperidyl)amine dihydrobromide Formula: C18H23Br2FN6 MolecularWeight: 502.221823

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F.Br.Br

Isomeric SMILES

CC1CNCCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F.Br.Br

InChI

InChI=1S/C18H21FN6.2BrH/c1-12-8-20-7-6-15(12)23-18-24-16-9-21-11-22-17(16)25(18)10-13-2-4-14(19)5-3-13;;/h2-5,9,11-12,15,20H,6-8,10H2,1H3,(H,23,24);2*1H