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

Systemtic Name: 7-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-3H-purin-6-one dihydrobromide Openeye Name: 7-[(4-fluorophenyl)methyl]-8-(4-piperidylamino)-3H-purin-6-one dihydrobromide CAS Name: 7-[(4-fluorophenyl)methyl]-8-(4-piperidinylamino)-3H-purin-6-one dihydrobromide IUPAC Name: 7-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylamino)-3H-purin-6-one dihydrobromide Traditional Name: 7-(4-fluorobenzyl)-8-(4-piperidylamino)-3H-purin-6-one dihydrobromide Formula: C17H21Br2FN6O MolecularWeight: 504.194643

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N=CN3.Br.Br

Isomeric SMILES

C1CNCCC1NC2=NC3=C(N2CC4=CC=C(C=C4)F)C(=O)N=CN3.Br.Br

InChI

InChI=1S/C17H19FN6O.2BrH/c18-12-3-1-11(2-4-12)9-24-14-15(20-10-21-16(14)25)23-17(24)22-13-5-7-19-8-6-13;;/h1-4,10,13,19H,5-9H2,(H2,20,21,22,23,25);2*1H