9-[(4-fluorophenyl)methyl]-8-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-purin-6-one

Systemtic Name: 9-[(4-fluorophenyl)methyl]-8-[[1-(phenylmethyl)piperidin-4-yl]methyl]-3H-purin-6-one Openeye Name: 8-[(1-benzyl-4-piperidyl)methyl]-9-[(4-fluorophenyl)methyl]-3H-purin-6-one CAS Name: 9-[(4-fluorophenyl)methyl]-8-[[1-(phenylmethyl)-4-piperidinyl]methyl]-3H-purin-6-one IUPAC Name: 8-[(1-benzylpiperidin-4-yl)methyl]-9-[(4-fluorophenyl)methyl]-3H-purin-6-one Traditional Name: 8-[(1-benzyl-4-piperidyl)methyl]-9-(4-fluorobenzyl)-3H-purin-6-one Formula: C25H26FN5O MolecularWeight: 431.505243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=NC3=C(N2CC4=CC=C(C=C4)F)NC=NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=NC3=C(N2CC4=CC=C(C=C4)F)NC=NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H26FN5O/c26-21-8-6-20(7-9-21)16-31-22(29-23-24(31)27-17-28-25(23)32)14-18-10-12-30(13-11-18)15-19-4-2-1-3-5-19/h1-9,17-18H,10-16H2,(H,27,28,32)