1,3-dimethyl-8-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-morpholino-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-morpholinyl)-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-morpholino-7-[3-(trifluoromethyl)benzyl]xanthine Formula: C19H20F3N5O3 MolecularWeight: 423.38901

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H20F3N5O3/c1-24-15-14(16(28)25(2)18(24)29)27(17(23-15)26-6-8-30-9-7-26)11-12-4-3-5-13(10-12)19(20,21)22/h3-5,10H,6-9,11H2,1-2H3