[4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] benzenesulfonate

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] benzenesulfonate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S2/c1-30-23-25-21(17-8-4-2-5-9-17)16-22(26-23)24-18-12-14-19(15-13-18)29-31(27,28)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,25,26)