9-methyl-N-phenethyl-8-(2-phenylethynyl)-6-(trifluoromethyl)purin-2-amine

Systemtic Name: 9-methyl-N-phenethyl-8-(2-phenylethynyl)-6-(trifluoromethyl)purin-2-amine Openeye Name: 9-methyl-N-phenethyl-8-(2-phenylethynyl)-6-(trifluoromethyl)purin-2-amine CAS Name: 9-methyl-N-phenethyl-8-(2-phenylethynyl)-6-(trifluoromethyl)-2-purinamine IUPAC Name: 9-methyl-N-phenethyl-8-(2-phenylethynyl)-6-(trifluoromethyl)purin-2-amine Traditional Name: [9-methyl-8-(2-phenylethynyl)-6-(trifluoromethyl)purin-2-yl]-phenethyl-amine Formula: C23H18F3N5 MolecularWeight: 421.41773

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C(N=C(N=C21)NCCC3=CC=CC=C3)C(F)(F)F)C#CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NC2=C(N=C(N=C21)NCCC3=CC=CC=C3)C(F)(F)F)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H18F3N5/c1-31-18(13-12-16-8-4-2-5-9-16)28-19-20(23(24,25)26)29-22(30-21(19)31)27-15-14-17-10-6-3-7-11-17/h2-11H,14-15H2,1H3,(H,27,29,30)