9-[1-(4-fluorophenyl)-2-methyl-propan-2-yl]-N8-naphthalen-2-yl-N6-(phenylmethyl)purine-6,8-diamine

Systemtic Name: 9-[1-(4-fluorophenyl)-2-methyl-propan-2-yl]-N8-naphthalen-2-yl-N6-(phenylmethyl)purine-6,8-diamine Openeye Name: N6-benzyl-9-[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]-N8-(2-naphthyl)purine-6,8-diamine CAS Name: 9-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-N8-(2-naphthalenyl)-N6-(phenylmethyl)purine-6,8-diamine IUPAC Name: 6-N-benzyl-9-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-8-N-naphthalen-2-ylpurine-6,8-diamine Traditional Name: benzyl-[9-[2-(4-fluorophenyl)-1,1-dimethyl-ethyl]-8-(2-naphthylamino)purin-6-yl]amine Formula: C32H29FN6 MolecularWeight: 516.611263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)F)N2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)F)N2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C32H29FN6/c1-32(2,19-22-12-15-26(33)16-13-22)39-30-28(29(35-21-36-30)34-20-23-8-4-3-5-9-23)38-31(39)37-27-17-14-24-10-6-7-11-25(24)18-27/h3-18,21H,19-20H2,1-2H3,(H,37,38)(H,34,35,36)