1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[3-(trifluoromethyl)benzyl]xanthine Formula: C16H15F3N4O2 MolecularWeight: 352.31111

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H15F3N4O2/c1-21-11(8-9-5-4-6-10(7-9)16(17,18)19)20-13-12(21)14(24)23(3)15(25)22(13)2/h4-7H,8H2,1-3H3