1,3-dimethyl-7-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[4-[2-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[4-[2-(trifluoromethyl)phenyl]piperazino]ethyl]xanthine Formula: C20H23F3N6O2 MolecularWeight: 436.43083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCN(CC3)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C20H23F3N6O2/c1-25-17-16(18(30)26(2)19(25)31)29(13-24-17)12-9-27-7-10-28(11-8-27)15-6-4-3-5-14(15)20(21,22)23/h3-6,13H,7-12H2,1-2H3