9-[(4-fluorophenyl)methyl]-N-piperidin-4-yl-purin-8-amine dihydrochloride

Systemtic Name: 9-[(4-fluorophenyl)methyl]-N-piperidin-4-yl-purin-8-amine dihydrochloride Openeye Name: 9-[(4-fluorophenyl)methyl]-N-(4-piperidyl)purin-8-amine dihydrochloride CAS Name: 9-[(4-fluorophenyl)methyl]-N-(4-piperidinyl)-8-purinamine dihydrochloride IUPAC Name: 9-[(4-fluorophenyl)methyl]-N-piperidin-4-ylpurin-8-amine dihydrochloride Traditional Name: [9-(4-fluorobenzyl)purin-8-yl]-(4-piperidyl)amine dihydrochloride Formula: C17H21Cl2FN6 MolecularWeight: 399.293243

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F.Cl.Cl

Isomeric SMILES

C1CNCCC1NC2=NC3=CN=CN=C3N2CC4=CC=C(C=C4)F.Cl.Cl

InChI

InChI=1S/C17H19FN6.2ClH/c18-13-3-1-12(2-4-13)10-24-16-15(9-20-11-21-16)23-17(24)22-14-5-7-19-8-6-14;;/h1-4,9,11,14,19H,5-8,10H2,(H,22,23);2*1H