3-butyl-8-[5-[4-chloranyl-3-(trifluoromethyl)phenyl]furan-2-yl]-7-ethyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[5-[4-chloranyl-3-(trifluoromethyl)phenyl]furan-2-yl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furanyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]-7-ethyl-xanthine Formula: C22H20ClF3N4O3 MolecularWeight: 480.86741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(F)(F)F)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(F)(F)F)CC

InChI

InChI=1S/C22H20ClF3N4O3/c1-3-5-10-30-19-17(20(31)28-21(30)32)29(4-2)18(27-19)16-9-8-15(33-16)12-6-7-14(23)13(11-12)22(24,25)26/h6-9,11H,3-5,10H2,1-2H3,(H,28,31,32)