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

Systemtic Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] methanesulfonate Openeye Name: [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[(2-methyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S/c1-13-19-17(14-7-4-3-5-8-14)12-18(20-13)21-15-9-6-10-16(11-15)24-25(2,22)23/h3-12H,1-2H3,(H,19,20,21)