5-ethyl-N-[[5-fluoranyl-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 5-ethyl-N-[[5-fluoranyl-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-pyrazole-3-carboxamide Openeye Name: 5-ethyl-N-[[5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 5-ethyl-N-[[5-fluoro-7-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 5-ethyl-N-[[5-fluoro-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylpyrazole-3-carboxamide Traditional Name: 5-ethyl-N-[[5-fluoro-7-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]-2-methyl-pyrazole-3-carboxamide Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=NC(=NC=C4)SC)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=NC(=NC=C4)SC)C

InChI

InChI=1S/C21H22FN5O2S/c1-4-14-10-18(27(2)26-14)20(28)24-11-15-8-12-7-13(22)9-16(19(12)29-15)17-5-6-23-21(25-17)30-3/h5-7,9-10,15H,4,8,11H2,1-3H3,(H,24,28)