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

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-7-hexyl-3-methyl-purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-hexyl-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-7-hexyl-3-methylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-hexyl-3-methylpurine-2,6-dione Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-7-hexyl-3-methyl-xanthine Formula: C19H22ClFN4O2S MolecularWeight: 424.919983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H22ClFN4O2S/c1-3-4-5-6-10-25-15-16(24(2)18(27)23-17(15)26)22-19(25)28-11-12-13(20)8-7-9-14(12)21/h7-9H,3-6,10-11H2,1-2H3,(H,23,26,27)