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

Systemtic Name: 9-[(4-methylphenyl)methyl]-N-phenyl-2-(trifluoromethyl)purin-6-amine Openeye Name: N-phenyl-9-(p-tolylmethyl)-2-(trifluoromethyl)purin-6-amine CAS Name: 9-[(4-methylphenyl)methyl]-N-phenyl-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-[(4-methylphenyl)methyl]-N-phenyl-2-(trifluoromethyl)purin-6-amine Traditional Name: [9-(4-methylbenzyl)-2-(trifluoromethyl)purin-6-yl]-phenyl-amine Formula: C20H16F3N5 MolecularWeight: 383.36975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N5/c1-13-7-9-14(10-8-13)11-28-12-24-16-17(25-15-5-3-2-4-6-15)26-19(20(21,22)23)27-18(16)28/h2-10,12H,11H2,1H3,(H,25,26,27)