6,8-dimethyl-N,9-bis[3-(trifluoromethyl)phenyl]purin-2-amine

Systemtic Name: 6,8-dimethyl-N,9-bis[3-(trifluoromethyl)phenyl]purin-2-amine Openeye Name: 6,8-dimethyl-N,9-bis[3-(trifluoromethyl)phenyl]purin-2-amine CAS Name: 6,8-dimethyl-N,9-bis[3-(trifluoromethyl)phenyl]-2-purinamine IUPAC Name: 6,8-dimethyl-N,9-bis[3-(trifluoromethyl)phenyl]purin-2-amine Traditional Name: [6,8-dimethyl-9-[3-(trifluoromethyl)phenyl]purin-2-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C21H15F6N5 MolecularWeight: 451.367719

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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)C)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)C)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H15F6N5/c1-11-17-18(31-19(28-11)30-15-7-3-5-13(9-15)20(22,23)24)32(12(2)29-17)16-8-4-6-14(10-16)21(25,26)27/h3-10H,1-2H3,(H,28,30,31)