1-[3,5-bis(trifluoromethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenyl-purine-2,6-dione

Systemtic Name: 1-[3,5-bis(trifluoromethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenyl-purine-2,6-dione Openeye Name: 1-[3,5-bis(trifluoromethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenyl-purine-2,6-dione CAS Name: 1-[3,5-bis(trifluoromethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenylpurine-2,6-dione IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenylpurine-2,6-dione Traditional Name: 1-[3,5-bis(trifluoromethyl)phenyl]-7-(ethoxymethyl)-8-methyl-3-phenyl-xanthine Formula: C23H18F6N4O3 MolecularWeight: 512.404439

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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(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(F)(F)F)C

InChI

InChI=1S/C23H18F6N4O3/c1-3-36-12-31-13(2)30-19-18(31)20(34)33(21(35)32(19)16-7-5-4-6-8-16)17-10-14(22(24,25)26)9-15(11-17)23(27,28)29/h4-11H,3,12H2,1-2H3