7-[4,4-bis(4-fluorophenyl)butyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[4,4-bis(4-fluorophenyl)butyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4,4-bis(4-fluorophenyl)butyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4,4-bis(4-fluorophenyl)butyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4,4-bis(4-fluorophenyl)butyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4,4-bis(4-fluorophenyl)butyl]-8-chloro-1,3-dimethyl-xanthine Formula: C23H21ClF2N4O2 MolecularWeight: 458.888246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H21ClF2N4O2/c1-28-20-19(21(31)29(2)23(28)32)30(22(24)27-20)13-3-4-18(14-5-9-16(25)10-6-14)15-7-11-17(26)12-8-15/h5-12,18H,3-4,13H2,1-2H3