4-[2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-pyrimidin-5-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-pyrimidin-5-yl]ethynyl-oxidanyl-phosphoryl]-3-oxidanyl-butanoic acid Openeye Name: 4-[2-[4-(4-fluorophenyl)-6-isopropyl-2-phenyl-pyrimidin-5-yl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butanoic acid CAS Name: 4-[2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-yl-5-pyrimidinyl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid IUPAC Name: 4-[2-[4-(4-fluorophenyl)-2-phenyl-6-propan-2-ylpyrimidin-5-yl]ethynyl-hydroxyphosphoryl]-3-hydroxybutanoic acid Traditional Name: 4-[2-[4-(4-fluorophenyl)-6-isopropyl-2-phenyl-pyrimidin-5-yl]ethynyl-hydroxy-phosphoryl]-3-hydroxy-butyric acid Formula: C25H24FN2O5P MolecularWeight: 482.440624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C#CP(=O)(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC(=NC(=C1C#CP(=O)(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C25H24FN2O5P/c1-16(2)23-21(12-13-34(32,33)15-20(29)14-22(30)31)24(17-8-10-19(26)11-9-17)28-25(27-23)18-6-4-3-5-7-18/h3-11,16,20,29H,14-15H2,1-2H3,(H,30,31)(H,32,33)