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

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-(2-ethoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-7-(2-ethoxyethyl)-3-methyl-xanthine Formula: C17H18ClFN4O3S MolecularWeight: 412.866223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C

Isomeric SMILES

CCOCCN1C2=C(N=C1SCC3=C(C=CC=C3Cl)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H18ClFN4O3S/c1-3-26-8-7-23-13-14(22(2)16(25)21-15(13)24)20-17(23)27-9-10-11(18)5-4-6-12(10)19/h4-6H,3,7-9H2,1-2H3,(H,21,24,25)