2-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-2-[4-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-2-yl]ethanethioic S-acid

Systemtic Name: 2-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-2-[4-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-2-yl]ethanethioic S-acid Openeye Name: 2-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-[4-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-2-yl]ethanethioic S-acid CAS Name: 2-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-2-[4-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidinyl]ethanethioic S-acid IUPAC Name: 2-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-[4-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-2-yl]ethanethioic S-acid Traditional Name: 2-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-2-[4-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-2-yl]thioacetic acid Formula: C29H30BrN5O7S2 MolecularWeight: 704.6118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC=C2OC3=CC=CC=C3OC)C(C(=O)S)OCCOC4=NC=C(C=N4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC=C2OC3=CC=CC=C3OC)C(C(=O)S)OCCOC4=NC=C(C=N4)Br

InChI

InChI=1S/C29H30BrN5O7S2/c1-29(2,3)18-9-11-20(12-10-18)44(37,38)35-25-23(42-22-8-6-5-7-21(22)39-4)17-31-26(34-25)24(27(36)43)40-13-14-41-28-32-15-19(30)16-33-28/h5-12,15-17,24H,13-14H2,1-4H3,(H,36,43)(H,31,34,35)