N-[[5-fluoranyl-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[5-fluoranyl-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-fluoro-7-(6-methoxy-3-pyridazinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-fluoro-7-(6-methoxypyridazin-3-yl)coumaran-2-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C20H18FN5O3S MolecularWeight: 427.452023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)CSC4=NC=CC=N4)F

Isomeric SMILES

COC1=NN=C(C=C1)C2=CC(=CC3=C2OC(C3)CNC(=O)CSC4=NC=CC=N4)F

InChI

InChI=1S/C20H18FN5O3S/c1-28-18-4-3-16(25-26-18)15-9-13(21)7-12-8-14(29-19(12)15)10-24-17(27)11-30-20-22-5-2-6-23-20/h2-7,9,14H,8,10-11H2,1H3,(H,24,27)