[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate CAS Name: 2-methoxy-4,5-dimethylbenzenesulfonic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethylbenzenesulfonate Traditional Name: 2-methoxy-4,5-dimethyl-benzenesulfonic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)OC2=CC=CC(=C2)NC3=NC(=NC(=C3)C4=CC=CC=C4)SC)OC

InChI

InChI=1S/C26H25N3O4S2/c1-17-13-23(32-3)24(14-18(17)2)35(30,31)33-21-12-8-11-20(15-21)27-25-16-22(28-26(29-25)34-4)19-9-6-5-7-10-19/h5-16H,1-4H3,(H,27,28,29)