1,3-dimethyl-8-[[3-(trifluoromethyl)phenyl]amino]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[3-(trifluoromethyl)phenyl]amino]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[3-(trifluoromethyl)anilino]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[3-(trifluoromethyl)anilino]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[3-(trifluoromethyl)anilino]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[3-(trifluoromethyl)anilino]-7H-purine-2,6-quinone Formula: C14H12F3N5O2 MolecularWeight: 339.27259

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C14H12F3N5O2/c1-21-10-9(11(23)22(2)13(21)24)19-12(20-10)18-8-5-3-4-7(6-8)14(15,16)17/h3-6H,1-2H3,(H2,18,19,20)