N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[[(2R)-7-(3,6-dimethyl-2-pyrazinyl)-4-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[[(2R)-7-(3,6-dimethylpyrazin-2-yl)-4-fluoro-coumaran-2-yl]methyl]-2-(2-pyridylthio)acetamide Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=C3C(=C(C=C2)F)CC(O3)CNC(=O)CSC4=CC=CC=N4)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=C3C(=C(C=C2)F)C[C@@H](O3)CNC(=O)CSC4=CC=CC=N4)C

InChI

InChI=1S/C22H21FN4O2S/c1-13-10-25-14(2)21(27-13)16-6-7-18(23)17-9-15(29-22(16)17)11-26-19(28)12-30-20-5-3-4-8-24-20/h3-8,10,15H,9,11-12H2,1-2H3,(H,26,28)/t15-/m1/s1