7-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylmethyl)-3H-purin-6-one dihydrobromide

Systemtic Name: 7-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylmethyl)-3H-purin-6-one dihydrobromide Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(4-piperidylmethyl)-3H-purin-6-one dihydrobromide CAS Name: 7-[(4-fluorophenyl)methyl]-8-(4-piperidinylmethyl)-3H-purin-6-one dihydrobromide IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylmethyl)-3H-purin-6-one dihydrobromide Traditional Name: 7-(4-fluorobenzyl)-8-(4-piperidylmethyl)-3H-purin-6-one dihydrobromide Formula: C18H22Br2FN5O MolecularWeight: 503.206583

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N=CN3.Br.Br

Isomeric SMILES

C1CNCCC1CC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N=CN3.Br.Br

InChI

InChI=1S/C18H20FN5O.2BrH/c19-14-3-1-13(2-4-14)10-24-15(9-12-5-7-20-8-6-12)23-17-16(24)18(25)22-11-21-17;;/h1-4,11-12,20H,5-10H2,(H,21,22,25);2*1H