3-butyl-8-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[(2-chloranyl-4-fluoranyl-phenoxy)methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(2-chloro-4-fluoro-phenoxy)methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[(2-chloro-4-fluorophenoxy)methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(2-chloro-4-fluorophenoxy)methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[(2-chloro-4-fluoro-phenoxy)methyl]-7-propyl-xanthine Formula: C19H22ClFN4O3 MolecularWeight: 408.854383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)F)Cl)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC3=C(C=C(C=C3)F)Cl)CCC

InChI

InChI=1S/C19H22ClFN4O3/c1-3-5-9-25-17-16(18(26)23-19(25)27)24(8-4-2)15(22-17)11-28-14-7-6-12(21)10-13(14)20/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,23,26,27)