2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(4-bromo-2-fluoro-phenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-bromo-2-fluorophenyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(4-bromo-2-fluoro-benzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C16H12BrFN2OS2 MolecularWeight: 411.311683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=C(C=C(C=C3)Br)F)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=C(C=C(C=C3)Br)F)SC=C2

InChI

InChI=1S/C16H12BrFN2OS2/c1-2-6-20-15(21)12-5-7-22-14(12)19-16(20)23-9-10-3-4-11(17)8-13(10)18/h2-5,7-8H,1,6,9H2