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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-prop-2-enyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-allyl-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-prop-2-enyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-allyl-2-[(2-chloro-6-fluoro-benzyl)thio]thieno[2,3-d]pyrimidin-4-one Formula: C16H12ClFN2OS2 MolecularWeight: 366.860683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC3=C(C=CC=C3Cl)F)SC=C2

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC3=C(C=CC=C3Cl)F)SC=C2

InChI

InChI=1S/C16H12ClFN2OS2/c1-2-7-20-15(21)10-6-8-22-14(10)19-16(20)23-9-11-12(17)4-3-5-13(11)18/h2-6,8H,1,7,9H2