9-[(4-dimethylaminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)purin-6-amine

Systemtic Name: 9-[(4-dimethylaminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)purin-6-amine Openeye Name: 9-[(4-dimethylaminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)purin-6-amine CAS Name: 9-[(4-dimethylaminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)-6-purinamine IUPAC Name: 9-[(4-dimethylaminophenyl)methyl]-N-(3-fluorophenyl)-2-(trifluoromethyl)purin-6-amine Traditional Name: [4-[[6-(3-fluoroanilino)-2-(trifluoromethyl)purin-9-yl]methyl]phenyl]-dimethyl-amine Formula: C21H18F4N6 MolecularWeight: 430.401433

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)F)C(F)(F)F

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC(=CC=C4)F)C(F)(F)F

InChI

InChI=1S/C21H18F4N6/c1-30(2)16-8-6-13(7-9-16)11-31-12-26-17-18(27-15-5-3-4-14(22)10-15)28-20(21(23,24)25)29-19(17)31/h3-10,12H,11H2,1-2H3,(H,27,28,29)