disodium [2-[1-[2-(3-fluorophenyl)ethyl]-4-methyl-6-oxidanylidene-5-propan-2-yl-pyrimidin-2-yl]phenyl] phosphate

Systemtic Name: disodium [2-[1-[2-(3-fluorophenyl)ethyl]-4-methyl-6-oxidanylidene-5-propan-2-yl-pyrimidin-2-yl]phenyl] phosphate Openeye Name: disodium [2-[1-[2-(3-fluorophenyl)ethyl]-5-isopropyl-4-methyl-6-oxo-pyrimidin-2-yl]phenyl] phosphate CAS Name: disodium [2-[1-[2-(3-fluorophenyl)ethyl]-4-methyl-6-oxo-5-propan-2-yl-2-pyrimidinyl]phenyl] phosphate IUPAC Name: disodium [2-[1-[2-(3-fluorophenyl)ethyl]-4-methyl-6-oxo-5-propan-2-ylpyrimidin-2-yl]phenyl] phosphate Traditional Name: disodium [2-[1-[2-(3-fluorophenyl)ethyl]-5-isopropyl-6-keto-4-methyl-pyrimidin-2-yl]phenyl] phosphate Formula: C22H22FN2Na2O5P MolecularWeight: 490.372184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)C2=CC=CC=C2OP(=O)([O-])[O-])CCC3=CC(=CC=C3)F)C(C)C.[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)C2=CC=CC=C2OP(=O)([O-])[O-])CCC3=CC(=CC=C3)F)C(C)C.[Na+].[Na+]

InChI

InChI=1S/C22H24FN2O5P.2Na/c1-14(2)20-15(3)24-21(18-9-4-5-10-19(18)30-31(27,28)29)25(22(20)26)12-11-16-7-6-8-17(23)13-16;;/h4-10,13-14H,11-12H2,1-3H3,(H2,27,28,29);;/q;2*+1/p-2