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

Systemtic Name: 1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methoxy]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methoxy]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methoxy]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[[3-(trifluoromethyl)phenyl]methoxy]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[3-(trifluoromethyl)benzyl]oxy-xanthine Formula: C16H15F3N4O3 MolecularWeight: 368.31051

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OCC3=CC(=CC=C3)C(F)(F)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OCC3=CC(=CC=C3)C(F)(F)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H15F3N4O3/c1-21-11-12(22(2)15(25)23(3)13(11)24)20-14(21)26-8-9-5-4-6-10(7-9)16(17,18)19/h4-7H,8H2,1-3H3