N-[[(2R)-5-fluoranyl-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-[[(2R)-5-fluoranyl-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-ethanamide Openeye Name: N-[[(2R)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-acetamide CAS Name: N-[[(2R)-5-fluoro-7-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)acetamide IUPAC Name: N-[[(2R)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylacetamide Traditional Name: N-[[(2R)-5-fluoro-7-(5-pyrimidyl)coumaran-2-yl]methyl]-2-(methylthio)acetamide Formula: C16H16FN3O2S MolecularWeight: 333.380543

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NCC1CC2=C(O1)C(=CC(=C2)F)C3=CN=CN=C3

Isomeric SMILES

CSCC(=O)NC[C@H]1CC2=C(O1)C(=CC(=C2)F)C3=CN=CN=C3

InChI

InChI=1S/C16H16FN3O2S/c1-23-8-15(21)20-7-13-3-10-2-12(17)4-14(16(10)22-13)11-5-18-9-19-6-11/h2,4-6,9,13H,3,7-8H2,1H3,(H,20,21)/t13-/m1/s1