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1,3,9-trimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione

1,3,9-trimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione

Systemtic Name:1,3,9-trimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione
Openeye Name:1,3,9-trimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione
CAS Name:1,3,9-trimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione
IUPAC Name:1,3,9-trimethyl-8-[3-(trifluoromethyl)phenoxy]purine-2,6-dione
Traditional Name:1,3,9-trimethyl-8-[3-(trifluoromethyl)phenoxy]xanthine
Formula: C15H13F3N4O3
MolecularWeight: 354.28393
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1OC3=CC=CC(=C3)C(F)(F)F


Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1OC3=CC=CC(=C3)C(F)(F)F


InChI

InChI=1S/C15H13F3N4O3/c1-20-11-10(12(23)22(3)14(24)21(11)2)19-13(20)25-9-6-4-5-8(7-9)15(16,17)18/h4-7H,1-3H3


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