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

Systemtic Name: 7-[4-(trifluoromethyl)phenyl]-3H-purine-2,6-dione Openeye Name: 7-[4-(trifluoromethyl)phenyl]-3H-purine-2,6-dione CAS Name: 7-[4-(trifluoromethyl)phenyl]-3H-purine-2,6-dione IUPAC Name: 7-[4-(trifluoromethyl)phenyl]-3H-purine-2,6-dione Traditional Name: 7-[4-(trifluoromethyl)phenyl]xanthine Formula: C12H7F3N4O2 MolecularWeight: 296.20479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)N2C=NC3=C2C(=O)NC(=O)N3

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)N2C=NC3=C2C(=O)NC(=O)N3

InChI

InChI=1S/C12H7F3N4O2/c13-12(14,15)6-1-3-7(4-2-6)19-5-16-9-8(19)10(20)18-11(21)17-9/h1-5H,(H2,17,18,20,21)