8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-hexyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-7-hexyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-hexyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-7-hexyl-1,3-dimethyl-xanthine Formula: C20H24ClFN4O2S MolecularWeight: 438.946563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H24ClFN4O2S/c1-4-5-6-7-11-26-16-17(24(2)20(28)25(3)18(16)27)23-19(26)29-12-13-14(21)9-8-10-15(13)22/h8-10H,4-7,11-12H2,1-3H3