N-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine

Systemtic Name: N-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Openeye Name: N-(3-fluorophenyl)-9-(p-tolylmethyl)-2-(trifluoromethyl)purin-6-amine CAS Name: N-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)-6-purinamine IUPAC Name: N-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-2-(trifluoromethyl)purin-6-amine Traditional Name: (3-fluorophenyl)-[9-(4-methylbenzyl)-2-(trifluoromethyl)purin-6-yl]amine Formula: C20H15F4N5 MolecularWeight: 401.360213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)F)C(F)(F)F

InChI

InChI=1S/C20H15F4N5/c1-12-5-7-13(8-6-12)10-29-11-25-16-17(26-15-4-2-3-14(21)9-15)27-19(20(22,23)24)28-18(16)29/h2-9,11H,10H2,1H3,(H,26,27,28)