7-(ethoxymethyl)-8-methyl-3-phenyl-1-[4-(trifluoromethyloxy)phenyl]purine-2,6-dione

Systemtic Name: 7-(ethoxymethyl)-8-methyl-3-phenyl-1-[4-(trifluoromethyloxy)phenyl]purine-2,6-dione Openeye Name: 7-(ethoxymethyl)-8-methyl-3-phenyl-1-[4-(trifluoromethoxy)phenyl]purine-2,6-dione CAS Name: 7-(ethoxymethyl)-8-methyl-3-phenyl-1-[4-(trifluoromethoxy)phenyl]purine-2,6-dione IUPAC Name: 7-(ethoxymethyl)-8-methyl-3-phenyl-1-[4-(trifluoromethoxy)phenyl]purine-2,6-dione Traditional Name: 7-(ethoxymethyl)-8-methyl-3-phenyl-1-[4-(trifluoromethoxy)phenyl]xanthine Formula: C22H19F3N4O4 MolecularWeight: 460.40587

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Descriptors Computed from Structure

Canonical SMILES:

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)(F)F)C

Isomeric SMILES

CCOCN1C(=NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)(F)F)C

InChI

InChI=1S/C22H19F3N4O4/c1-3-32-13-27-14(2)26-19-18(27)20(30)29(21(31)28(19)15-7-5-4-6-8-15)16-9-11-17(12-10-16)33-22(23,24)25/h4-12H,3,13H2,1-2H3