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

Systemtic Name: 3-butyl-8-[5-[4-chloranyl-3-(trifluoromethyl)phenyl]furan-2-yl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furanyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]-7-propyl-xanthine Formula: C23H22ClF3N4O3 MolecularWeight: 494.89399

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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)CCC

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)CCC

InChI

InChI=1S/C23H22ClF3N4O3/c1-3-5-11-31-20-18(21(32)29-22(31)33)30(10-4-2)19(28-20)17-9-8-16(34-17)13-6-7-15(24)14(12-13)23(25,26)27/h6-9,12H,3-5,10-11H2,1-2H3,(H,29,32,33)