9-[(4-fluorophenyl)methyl]-6-methoxy-8-[[1-(phenylmethyl)piperidin-4-yl]methyl]purine

Systemtic Name: 9-[(4-fluorophenyl)methyl]-6-methoxy-8-[[1-(phenylmethyl)piperidin-4-yl]methyl]purine Openeye Name: 8-[(1-benzyl-4-piperidyl)methyl]-9-[(4-fluorophenyl)methyl]-6-methoxy-purine CAS Name: 9-[(4-fluorophenyl)methyl]-6-methoxy-8-[[1-(phenylmethyl)-4-piperidinyl]methyl]purine IUPAC Name: 8-[(1-benzylpiperidin-4-yl)methyl]-9-[(4-fluorophenyl)methyl]-6-methoxypurine Traditional Name: 8-[(1-benzyl-4-piperidyl)methyl]-9-(4-fluorobenzyl)-6-methoxy-purine Formula: C26H28FN5O MolecularWeight: 445.531823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC2=C1N=C(N2CC3=CC=C(C=C3)F)CC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

COC1=NC=NC2=C1N=C(N2CC3=CC=C(C=C3)F)CC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28FN5O/c1-33-26-24-25(28-18-29-26)32(17-21-7-9-22(27)10-8-21)23(30-24)15-19-11-13-31(14-12-19)16-20-5-3-2-4-6-20/h2-10,18-19H,11-17H2,1H3