[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] benzenesulfonate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] benzenesulfonate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c1-13-11-17(21-18(19-13)25-2)20-14-7-6-8-15(12-14)24-26(22,23)16-9-4-3-5-10-16/h3-12H,1-2H3,(H,19,20,21)