N8-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-N6-(phenylmethyl)purine-6,8-diamine

Systemtic Name: N8-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-N6-(phenylmethyl)purine-6,8-diamine Openeye Name: N6-benzyl-N8-(3-fluorophenyl)-9-(p-tolylmethyl)purine-6,8-diamine CAS Name: N8-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-N6-(phenylmethyl)purine-6,8-diamine IUPAC Name: 6-N-benzyl-8-N-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]purine-6,8-diamine Traditional Name: benzyl-[8-(3-fluoroanilino)-9-(4-methylbenzyl)purin-6-yl]amine Formula: C26H23FN6 MolecularWeight: 438.499423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NC5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C(=NC=N3)NCC4=CC=CC=C4)N=C2NC5=CC(=CC=C5)F

InChI

InChI=1S/C26H23FN6/c1-18-10-12-20(13-11-18)16-33-25-23(32-26(33)31-22-9-5-8-21(27)14-22)24(29-17-30-25)28-15-19-6-3-2-4-7-19/h2-14,17H,15-16H2,1H3,(H,31,32)(H,28,29,30)