[3-[(6-methylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H19N3O5S/c1-13-9-19(21-12-20-13)22-14-5-4-6-15(10-14)27-28(23,24)16-7-8-17(25-2)18(11-16)26-3/h4-12H,1-3H3,(H,20,21,22)