9-methyl-N-phenethyl-8-[3-(2-phenylethynyl)phenyl]-6-(trifluoromethyl)purin-2-amine

Systemtic Name: 9-methyl-N-phenethyl-8-[3-(2-phenylethynyl)phenyl]-6-(trifluoromethyl)purin-2-amine Openeye Name: 9-methyl-N-phenethyl-8-[3-(2-phenylethynyl)phenyl]-6-(trifluoromethyl)purin-2-amine CAS Name: 9-methyl-N-phenethyl-8-[3-(2-phenylethynyl)phenyl]-6-(trifluoromethyl)-2-purinamine IUPAC Name: 9-methyl-N-phenethyl-8-[3-(2-phenylethynyl)phenyl]-6-(trifluoromethyl)purin-2-amine Traditional Name: [9-methyl-8-[3-(2-phenylethynyl)phenyl]-6-(trifluoromethyl)purin-2-yl]-phenethyl-amine Formula: C29H22F3N5 MolecularWeight: 497.51369

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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)C4=CC=CC(=C4)C#CC5=CC=CC=C5

Isomeric SMILES

CN1C(=NC2=C(N=C(N=C21)NCCC3=CC=CC=C3)C(F)(F)F)C4=CC=CC(=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C29H22F3N5/c1-37-26(23-14-8-13-22(19-23)16-15-20-9-4-2-5-10-20)34-24-25(29(30,31)32)35-28(36-27(24)37)33-18-17-21-11-6-3-7-12-21/h2-14,19H,17-18H2,1H3,(H,33,35,36)