methyl 2-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate

Systemtic Name: methyl 2-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate Openeye Name: methyl 2-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate CAS Name: 2-[4-(4-fluorophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylate Traditional Name: 2-[4-(4-fluorophenyl)-5-[2-(methylthio)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid methyl ester Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)SC)C4=CC=C(C=C4)F)C(=O)OC

Isomeric SMILES

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)SC)C4=CC=C(C=C4)F)C(=O)OC

InChI

InChI=1S/C21H21FN4O4S/c1-21(19(27)28-2)10-29-18(30-11-21)17-25-15(12-4-6-13(22)7-5-12)16(26-17)14-8-9-23-20(24-14)31-3/h4-9,18H,10-11H2,1-3H3,(H,25,26)