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

Systemtic Name: 9-methyl-N-phenethyl-8-phenyl-6-(trifluoromethyl)purin-2-amine Openeye Name: 9-methyl-N-phenethyl-8-phenyl-6-(trifluoromethyl)purin-2-amine CAS Name: 9-methyl-N-phenethyl-8-phenyl-6-(trifluoromethyl)-2-purinamine IUPAC Name: 9-methyl-N-phenethyl-8-phenyl-6-(trifluoromethyl)purin-2-amine Traditional Name: [9-methyl-8-phenyl-6-(trifluoromethyl)purin-2-yl]-phenethyl-amine Formula: C21H18F3N5 MolecularWeight: 397.39633

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N5/c1-29-18(15-10-6-3-7-11-15)26-16-17(21(22,23)24)27-20(28-19(16)29)25-13-12-14-8-4-2-5-9-14/h2-11H,12-13H2,1H3,(H,25,27,28)