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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] methanesulfonate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S2/c1-9-7-12(16-13(14-9)20-2)15-10-5-4-6-11(8-10)19-21(3,17)18/h4-8H,1-3H3,(H,14,15,16)