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

Systemtic Name: N-[[(2R)-7-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(2R)-7-(5-methyl-2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[(2R)-7-(5-methyl-2-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[(2R)-7-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[(2R)-7-(5-methyl-2-pyridyl)coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC1=CN=C(C=C1)C2=C3C(=CC=C2)C[C@@H](O3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C21H20N4O2S/c1-14-6-7-18(24-11-14)17-5-2-4-15-10-16(27-20(15)17)12-25-19(26)13-28-21-22-8-3-9-23-21/h2-9,11,16H,10,12-13H2,1H3,(H,25,26)/t16-/m1/s1