1,3-dimethyl-7-prop-2-enyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-prop-2-enyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione CAS Name: 1,3-dimethyl-7-prop-2-enyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-prop-2-enyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]xanthine Formula: C17H15F3N4O3 MolecularWeight: 380.32121

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C(F)(F)F)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC(=C3)C(F)(F)F)CC=C

InChI

InChI=1S/C17H15F3N4O3/c1-4-8-24-12-13(22(2)16(26)23(3)14(12)25)21-15(24)27-11-7-5-6-10(9-11)17(18,19)20/h4-7,9H,1,8H2,2-3H3