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

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H16ClFN4O3S MolecularWeight: 398.839643

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCOC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)CCOC

InChI

InChI=1S/C16H16ClFN4O3S/c1-21-13-12(14(23)20-15(21)24)22(6-7-25-2)16(19-13)26-8-9-10(17)4-3-5-11(9)18/h3-5H,6-8H2,1-2H3,(H,20,23,24)