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

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

Systemtic Name:7-(ethoxymethyl)-8-methyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]purine-2,6-dione
Openeye Name:7-(ethoxymethyl)-8-methyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CAS Name:7-(ethoxymethyl)-8-methyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]purine-2,6-dione
IUPAC Name:7-(ethoxymethyl)-8-methyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]purine-2,6-dione
Traditional Name:7-(ethoxymethyl)-8-methyl-3-phenyl-1-[3-(trifluoromethyl)phenyl]xanthine
Formula: C22H19F3N4O3
MolecularWeight: 444.40647
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H19F3N4O3/c1-3-32-13-27-14(2)26-19-18(27)20(30)29(17-11-7-8-15(12-17)22(23,24)25)21(31)28(19)16-9-5-4-6-10-16/h4-12H,3,13H2,1-2H3


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