disodium [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] phosphate

Systemtic Name: disodium [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanylidene-ethyl] phosphate Openeye Name: disodium [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-oxo-ethyl] phosphate CAS Name: disodium [2-[4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-oxoethyl] phosphate IUPAC Name: disodium [2-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl] phosphate Traditional Name: disodium [2-[4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-keto-ethyl] phosphate Formula: C20H19ClN5Na2O5P MolecularWeight: 521.801661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

C1CN(CCC1C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)C(=O)COP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C20H21ClN5O5P.2Na/c21-15-3-1-13(2-4-15)19-18(16-5-8-22-12-23-16)20(25-24-19)14-6-9-26(10-7-14)17(27)11-31-32(28,29)30;;/h1-5,8,12,14H,6-7,9-11H2,(H,24,25)(H2,28,29,30);;/q;2*+1/p-2