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

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate CAS Name: 2-methoxy-4,5-dimethylbenzenesulfonic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethylbenzenesulfonate Traditional Name: 2-methoxy-4,5-dimethyl-benzenesulfonic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O4S/c1-17-12-23(31-3)24(13-18(17)2)33(29,30)32-21-11-7-10-20(14-21)28-25-15-22(26-16-27-25)19-8-5-4-6-9-19/h4-16H,1-3H3,(H,26,27,28)