N-[[5-fluoranyl-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3-methylpyrazol-1-yl)propanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=NC(=NC=C4)SC

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=NC(=NC=C4)SC

InChI

InChI=1S/C21H22FN5O2S/c1-13-4-7-27(26-13)8-5-19(28)24-12-16-10-14-9-15(22)11-17(20(14)29-16)18-3-6-23-21(25-18)30-2/h3-4,6-7,9,11,16H,5,8,10,12H2,1-2H3,(H,24,28)