2-chloranyl-N-(phenylmethyl)-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine

Systemtic Name: 2-chloranyl-N-(phenylmethyl)-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine Openeye Name: N-benzyl-2-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine CAS Name: 2-chloro-N-(phenylmethyl)-9-[[3-(trifluoromethyl)phenyl]methyl]-6-purinamine IUPAC Name: N-benzyl-2-chloro-9-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine Traditional Name: benzyl-[2-chloro-9-[3-(trifluoromethyl)benzyl]purin-6-yl]amine Formula: C20H15ClF3N5 MolecularWeight: 417.81481

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC(=CC=C4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=C2N=CN3CC4=CC(=CC=C4)C(F)(F)F)Cl

InChI

InChI=1S/C20H15ClF3N5/c21-19-27-17(25-10-13-5-2-1-3-6-13)16-18(28-19)29(12-26-16)11-14-7-4-8-15(9-14)20(22,23)24/h1-9,12H,10-11H2,(H,25,27,28)