7-methyl-3-(phenylmethyl)-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione

Systemtic Name: 7-methyl-3-(phenylmethyl)-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 3-benzyl-7-methyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 7-methyl-3-(phenylmethyl)-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-[4-(trifluoromethyl)phenyl]xanthine Formula: C20H15F3N4O2 MolecularWeight: 400.35391

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C(F)(F)F)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C(F)(F)F)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H15F3N4O2/c1-26-15-17(24-16(26)13-7-9-14(10-8-13)20(21,22)23)27(19(29)25-18(15)28)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,25,28,29)