[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC(=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O5S/c1-17-26-22(18-8-5-4-6-9-18)16-25(27-17)28-19-10-7-11-20(14-19)33-34(29,30)21-12-13-23(31-2)24(15-21)32-3/h4-16H,1-3H3,(H,26,27,28)