calcium 2-[6-(4-tert-butylphenyl)sulfonylazanidyl-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethanolate

Systemtic Name: calcium 2-[6-(4-tert-butylphenyl)sulfonylazanidyl-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethanolate Openeye Name: calcium 2-[6-(4-tert-butylphenyl)sulfonylazanidyl-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxyethanolate CAS Name: calcium 2-[[6-(4-tert-butylphenyl)sulfonylazanidyl-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]oxy]ethanolate IUPAC Name: calcium 2-[6-(4-tert-butylphenyl)sulfonylazanidyl-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxyethanolate Traditional Name: calcium 2-[6-(4-tert-butylphenyl)sulfonylazanidyl-5-(2-methoxyphenoxy)-2-(2-pyrimidyl)pyrimidin-4-yl]oxyethanolate Formula: C27H27CaN5O6S MolecularWeight: 589.67618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=NC=CC=N3)OCC[O-])OC4=CC=CC=C4OC.[Ca+2]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=NC=CC=N3)OCC[O-])OC4=CC=CC=C4OC.[Ca+2]

InChI

InChI=1S/C27H27N5O6S.Ca/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15H,16-17H2,1-4H3;/q-2;+2