2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C13H8ClFN2OS2 MolecularWeight: 326.796823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=NC(=O)C3=C(N2)C=CS3)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NC(=O)C3=C(N2)C=CS3)F

InChI

InChI=1S/C13H8ClFN2OS2/c14-8-2-1-3-9(15)7(8)6-20-13-16-10-4-5-19-11(10)12(18)17-13/h1-5H,6H2,(H,16,17,18)