2,2,2-tris(fluoranyl)-N-[5-iodanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[5-iodanyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-6-yl]ethanamide Openeye Name: N-(2-benzylsulfanyl-5-iodo-4-oxo-1H-pyrimidin-6-yl)-2,2,2-trifluoro-acetamide CAS Name: 2,2,2-trifluoro-N-[5-iodo-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-6-yl]acetamide IUPAC Name: N-(2-benzylsulfanyl-5-iodo-4-oxo-1H-pyrimidin-6-yl)-2,2,2-trifluoroacetamide Traditional Name: N-[2-(benzylthio)-5-iodo-4-keto-1H-pyrimidin-6-yl]-2,2,2-trifluoro-acetamide Formula: C13H9F3IN3O2S MolecularWeight: 455.19414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)NC(=O)C(F)(F)F)I

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)C(=C(N2)NC(=O)C(F)(F)F)I

InChI

InChI=1S/C13H9F3IN3O2S/c14-13(15,16)11(22)18-9-8(17)10(21)20-12(19-9)23-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,18,19,20,21,22)