8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-9-methyl-3H-purin-6-one

Systemtic Name: 8-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Openeye Name: 8-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-9-methyl-3H-purin-6-one CAS Name: 8-[(2-chloro-6-fluorophenyl)methylthio]-9-methyl-3H-purin-6-one IUPAC Name: 8-[(2-chloro-6-fluorophenyl)methylsulfanyl]-9-methyl-3H-purin-6-one Traditional Name: 8-[(2-chloro-6-fluoro-benzyl)thio]-9-methyl-3H-purin-6-one Formula: C13H10ClFN4OS MolecularWeight: 324.761103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=CN2)N=C1SCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N=CN2)N=C1SCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C13H10ClFN4OS/c1-19-11-10(12(20)17-6-16-11)18-13(19)21-5-7-8(14)3-2-4-9(7)15/h2-4,6H,5H2,1H3,(H,16,17,20)