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

Systemtic Name: 1-(phenylmethyl)-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione Openeye Name: 1-benzyl-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione CAS Name: 1-(phenylmethyl)-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione IUPAC Name: 1-benzyl-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-dione Traditional Name: 1-benzyl-3-[2-(trifluoromethyl)phenyl]-7H-purine-2,6-quinone Formula: C19H13F3N4O2 MolecularWeight: 386.32733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13F3N4O2/c20-19(21,22)13-8-4-5-9-14(13)26-16-15(23-11-24-16)17(27)25(18(26)28)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,23,24)