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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-phenethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-phenethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Formula: C21H16ClFN2OS2 MolecularWeight: 430.945943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N=C2SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H16ClFN2OS2/c22-16-7-4-8-17(23)15(16)13-28-21-24-18-10-12-27-19(18)20(26)25(21)11-9-14-5-2-1-3-6-14/h1-8,10,12H,9,11,13H2