7-ethyl-3-(phenylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione

Systemtic Name: 7-ethyl-3-(phenylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione CAS Name: 7-ethyl-3-(phenylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[3-(trifluoromethyl)benzyl]xanthine Formula: C22H19F3N4O2 MolecularWeight: 428.40707

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O2/c1-2-27-14-26-19-18(27)20(30)29(13-16-9-6-10-17(11-16)22(23,24)25)21(31)28(19)12-15-7-4-3-5-8-15/h3-11,14H,2,12-13H2,1H3