1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione Openeye Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione CAS Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione Traditional Name: 1-p-anisyl-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-quinone Formula: C20H15F3N4O3 MolecularWeight: 416.35331

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H15F3N4O3/c1-30-13-8-6-12(7-9-13)10-26-18(28)16-17(25-11-24-16)27(19(26)29)15-5-3-2-4-14(15)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,25)