2-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-fluoranyl-1-phenyl-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid

Systemtic Name: 2-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-fluoranyl-1-phenyl-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid Openeye Name: 2-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-fluoro-1-phenyl-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid CAS Name: 2-[5-[2-(cyclopropylamino)-4-pyrimidinyl]-4-fluoro-1-phenyl-2-imidazolyl]-5-methyl-1,3-dioxane-5-carboxylic acid IUPAC Name: 2-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-fluoro-1-phenylimidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid Traditional Name: 2-[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-fluoro-1-phenyl-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxylic acid Formula: C22H22FN5O4 MolecularWeight: 439.439583

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=NC(=C(N2C3=CC=CC=C3)C4=NC(=NC=C4)NC5CC5)F)C(=O)O

Isomeric SMILES

CC1(COC(OC1)C2=NC(=C(N2C3=CC=CC=C3)C4=NC(=NC=C4)NC5CC5)F)C(=O)O

InChI

InChI=1S/C22H22FN5O4/c1-22(20(29)30)11-31-19(32-12-22)18-27-17(23)16(28(18)14-5-3-2-4-6-14)15-9-10-24-21(26-15)25-13-7-8-13/h2-6,9-10,13,19H,7-8,11-12H2,1H3,(H,29,30)(H,24,25,26)