2-[5-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]-2,3-dimethoxy-phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[5-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]-2,3-dimethoxy-phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[5-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]-2,3-dimethoxy-phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[5-[[4-[(3-bromophenyl)thio]-2-pyrimidinyl]amino]-2,3-dimethoxyphenoxy]ethyl ester IUPAC Name: 2-[5-[[4-(3-bromophenyl)sulfanylpyrimidin-2-yl]amino]-2,3-dimethoxyphenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[5-[[4-[(3-bromophenyl)thio]pyrimidin-2-yl]amino]-2,3-dimethoxy-phenoxy]ethyl ester Formula: C27H26BrN3O6S2 MolecularWeight: 632.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC(=CC(=C2OC)OC)NC3=NC=CC(=N3)SC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC(=CC(=C2OC)OC)NC3=NC=CC(=N3)SC4=CC(=CC=C4)Br

InChI

InChI=1S/C27H26BrN3O6S2/c1-18-7-9-22(10-8-18)39(32,33)37-14-13-36-24-17-20(16-23(34-2)26(24)35-3)30-27-29-12-11-25(31-27)38-21-6-4-5-19(28)15-21/h4-12,15-17H,13-14H2,1-3H3,(H,29,30,31)