8-[[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]methyl]-3-butyl-7-ethyl-purine-2,6-dione

Systemtic Name: 8-[[[4-bromanyl-3-(trifluoromethyl)phenyl]amino]methyl]-3-butyl-7-ethyl-purine-2,6-dione Openeye Name: 8-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3-butyl-7-ethyl-purine-2,6-dione CAS Name: 8-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3-butyl-7-ethylpurine-2,6-dione IUPAC Name: 8-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3-butyl-7-ethylpurine-2,6-dione Traditional Name: 8-[[4-bromo-3-(trifluoromethyl)anilino]methyl]-3-butyl-7-ethyl-xanthine Formula: C19H21BrF3N5O2 MolecularWeight: 488.30155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC(=C(C=C3)Br)C(F)(F)F)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC(=C(C=C3)Br)C(F)(F)F)CC

InChI

InChI=1S/C19H21BrF3N5O2/c1-3-5-8-28-16-15(17(29)26-18(28)30)27(4-2)14(25-16)10-24-11-6-7-13(20)12(9-11)19(21,22)23/h6-7,9,24H,3-5,8,10H2,1-2H3,(H,26,29,30)