1,3-dimethyl-8-(phenylmethyl)-7-[4-(trifluoromethyl)phenyl]carbonyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(phenylmethyl)-7-[4-(trifluoromethyl)phenyl]carbonyl-purine-2,6-dione Openeye Name: 8-benzyl-1,3-dimethyl-7-[4-(trifluoromethyl)benzoyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[oxo-[4-(trifluoromethyl)phenyl]methyl]-8-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-benzyl-1,3-dimethyl-7-[4-(trifluoromethyl)benzoyl]purine-2,6-dione Traditional Name: 8-benzyl-1,3-dimethyl-7-[4-(trifluoromethyl)benzoyl]xanthine Formula: C22H17F3N4O3 MolecularWeight: 442.39059

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H17F3N4O3/c1-27-18-17(20(31)28(2)21(27)32)29(16(26-18)12-13-6-4-3-5-7-13)19(30)14-8-10-15(11-9-14)22(23,24)25/h3-11H,12H2,1-2H3