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

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate CAS Name: 3,4-dimethoxybenzenesulfonic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 3,4-dimethoxybenzenesulfonate Traditional Name: 3,4-dimethoxybenzenesulfonic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC3=NC=NC(=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N3O5S/c1-30-22-12-11-20(14-23(22)31-2)33(28,29)32-19-10-6-9-18(13-19)27-24-15-21(25-16-26-24)17-7-4-3-5-8-17/h3-16H,1-2H3,(H,25,26,27)