magnesium 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanoic acid sulfate

Systemtic Name: magnesium 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-pyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanoic acid sulfate Openeye Name: magnesium 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid sulfate CAS Name: magnesium 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-yl-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid sulfate IUPAC Name: magnesium 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]ethenyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid sulfate Traditional Name: magnesium 2-[(4R,6S)-6-[(E)-2-[4-(4-fluorophenyl)-6-isopropyl-2-[mesyl(methyl)amino]pyrimidin-5-yl]vinyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid sulfate Formula: C25H32FMgN3O10S2 MolecularWeight: 641.969083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1C=CC2CC(OC(O2)(C)C)CC(=O)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C.[O-]S(=O)(=O)[O-].[Mg+2]

Isomeric SMILES

CC(C)C1=NC(=NC(=C1/C=C/[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)O)C3=CC=C(C=C3)F)N(C)S(=O)(=O)C.[O-]S(=O)(=O)[O-].[Mg+2]

InChI

InChI=1S/C25H32FN3O6S.Mg.H2O4S/c1-15(2)22-20(12-11-18-13-19(14-21(30)31)35-25(3,4)34-18)23(16-7-9-17(26)10-8-16)28-24(27-22)29(5)36(6,32)33;;1-5(2,3)4/h7-12,15,18-19H,13-14H2,1-6H3,(H,30,31);;(H2,1,2,3,4)/q;+2;/p-2/b12-11+;;/t18-,19-;;/m1../s1