7-[4,4-bis(4-fluorophenyl)butyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4,4-bis(4-fluorophenyl)butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4,4-bis(4-fluorophenyl)butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4,4-bis(4-fluorophenyl)butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4,4-bis(4-fluorophenyl)butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4,4-bis(4-fluorophenyl)butyl]-1,3-dimethyl-xanthine Formula: C23H22F2N4O2 MolecularWeight: 424.443186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22F2N4O2/c1-27-21-20(22(30)28(2)23(27)31)29(14-26-21)13-3-4-19(15-5-9-17(24)10-6-15)16-7-11-18(25)12-8-16/h5-12,14,19H,3-4,13H2,1-2H3