2-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylmethyl)-3,7-dihydropurin-6-one dihydrobromide

Systemtic Name: 2-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylmethyl)-3,7-dihydropurin-6-one dihydrobromide Openeye Name: 2-[(4-fluorophenyl)methyl]-8-(4-piperidylmethyl)-3,7-dihydropurin-6-one dihydrobromide CAS Name: 2-[(4-fluorophenyl)methyl]-8-(4-piperidinylmethyl)-3,7-dihydropurin-6-one dihydrobromide IUPAC Name: 2-[(4-fluorophenyl)methyl]-8-(piperidin-4-ylmethyl)-3,7-dihydropurin-6-one dihydrobromide Traditional Name: 2-(4-fluorobenzyl)-8-(4-piperidylmethyl)-3,7-dihydropurin-6-one dihydrobromide Formula: C18H22Br2FN5O MolecularWeight: 503.206583

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=NC3=C(N2)C(=O)N=C(N3)CC4=CC=C(C=C4)F.Br.Br

Isomeric SMILES

C1CNCCC1CC2=NC3=C(N2)C(=O)N=C(N3)CC4=CC=C(C=C4)F.Br.Br

InChI

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