8-(2-chloranyl-4-fluoranyl-phenoxy)-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(2-chloranyl-4-fluoranyl-phenoxy)-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(2-chloro-4-fluoro-phenoxy)-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(2-chloro-4-fluorophenoxy)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(2-chloro-4-fluorophenoxy)-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(2-chloro-4-fluoro-phenoxy)-1,3,7-trimethyl-xanthine Formula: C14H12ClFN4O3 MolecularWeight: 338.721483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1OC3=C(C=C(C=C3)F)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1OC3=C(C=C(C=C3)F)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H12ClFN4O3/c1-18-10-11(19(2)14(22)20(3)12(10)21)17-13(18)23-9-5-4-7(16)6-8(9)15/h4-6H,1-3H3