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

Systemtic Name: N-[(5-fluoranyl-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-fluoro-7-(3-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-fluoro-7-(3-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(5-fluoro-7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-fluoro-7-(3-pyridyl)coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C20H17FN4O2S MolecularWeight: 396.437983

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C1C=C(C=C2C3=CN=CC=C3)F)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1C(OC2=C1C=C(C=C2C3=CN=CC=C3)F)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C20H17FN4O2S/c21-15-7-14-8-16(11-25-18(26)12-28-20-23-5-2-6-24-20)27-19(14)17(9-15)13-3-1-4-22-10-13/h1-7,9-10,16H,8,11-12H2,(H,25,26)