2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid

Systemtic Name: 2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid Openeye Name: 2-[4-(4-fluorophenyl)-5-[2-(2-thienylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid CAS Name: 2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)-4-pyrimidinyl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid IUPAC Name: 2-[4-(4-fluorophenyl)-5-[2-(thiophen-2-ylmethylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid Traditional Name: 2-[4-(4-fluorophenyl)-5-[2-(2-thenylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid Formula: C24H22FN5O4S MolecularWeight: 495.525983

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC4=CC=CS4)C5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

CC1(COC(OC1)C2=NC(=C(N2)C3=NC(=NC=C3)NCC4=CC=CS4)C5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C24H22FN5O4S/c1-24(22(31)32)12-33-21(34-13-24)20-29-18(14-4-6-15(25)7-5-14)19(30-20)17-8-9-26-23(28-17)27-11-16-3-2-10-35-16/h2-10,21H,11-13H2,1H3,(H,29,30)(H,31,32)(H,26,27,28)