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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] benzenesulfonate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[[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=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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