6-methyl-N,9-bis[3-(trifluoromethyl)phenyl]purin-2-amine

Systemtic Name: 6-methyl-N,9-bis[3-(trifluoromethyl)phenyl]purin-2-amine Openeye Name: 6-methyl-N,9-bis[3-(trifluoromethyl)phenyl]purin-2-amine CAS Name: 6-methyl-N,9-bis[3-(trifluoromethyl)phenyl]-2-purinamine IUPAC Name: 6-methyl-N,9-bis[3-(trifluoromethyl)phenyl]purin-2-amine Traditional Name: [6-methyl-9-[3-(trifluoromethyl)phenyl]purin-2-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C20H13F6N5 MolecularWeight: 437.341139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=N1)NC3=CC=CC(=C3)C(F)(F)F)N(C=N2)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=C2C(=NC(=N1)NC3=CC=CC(=C3)C(F)(F)F)N(C=N2)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H13F6N5/c1-11-16-17(31(10-27-16)15-7-3-5-13(9-15)20(24,25)26)30-18(28-11)29-14-6-2-4-12(8-14)19(21,22)23/h2-10H,1H3,(H,28,29,30)