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

Systemtic Name: N-[[(2R)-5-fluoranyl-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[(2R)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[(2R)-5-fluoro-7-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[(2R)-5-fluoro-7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[(2R)-5-fluoro-7-(5-pyrimidyl)coumaran-2-yl]methyl]-2-(methylthio)nicotinamide Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CN=CN=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)F)C4=CN=CN=C4

InChI

InChI=1S/C20H17FN4O2S/c1-28-20-16(3-2-4-24-20)19(26)25-10-15-6-12-5-14(21)7-17(18(12)27-15)13-8-22-11-23-9-13/h2-5,7-9,11,15H,6,10H2,1H3,(H,25,26)/t15-/m1/s1