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

Systemtic Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] methanesulfonate Openeye Name: [4-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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