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

Systemtic Name: 9-[(4-fluorophenyl)methyl]-6-methyl-8-[[1-(phenylmethyl)piperidin-4-yl]methyl]purine Openeye Name: 8-[(1-benzyl-4-piperidyl)methyl]-9-[(4-fluorophenyl)methyl]-6-methyl-purine CAS Name: 9-[(4-fluorophenyl)methyl]-6-methyl-8-[[1-(phenylmethyl)-4-piperidinyl]methyl]purine IUPAC Name: 8-[(1-benzylpiperidin-4-yl)methyl]-9-[(4-fluorophenyl)methyl]-6-methylpurine Traditional Name: 8-[(1-benzyl-4-piperidyl)methyl]-9-(4-fluorobenzyl)-6-methyl-purine Formula: C26H28FN5 MolecularWeight: 429.532423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=N1)N(C(=N2)CC3CCN(CC3)CC4=CC=CC=C4)CC5=CC=C(C=C5)F

Isomeric SMILES

CC1=C2C(=NC=N1)N(C(=N2)CC3CCN(CC3)CC4=CC=CC=C4)CC5=CC=C(C=C5)F

InChI

InChI=1S/C26H28FN5/c1-19-25-26(29-18-28-19)32(17-22-7-9-23(27)10-8-22)24(30-25)15-20-11-13-31(14-12-20)16-21-5-3-2-4-6-21/h2-10,18,20H,11-17H2,1H3