[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S/c1-17-10-12-21(13-11-17)30(27,28)29-20-9-5-8-19(14-20)26-23-15-22(24-16-25-23)18-6-3-2-4-7-18/h2-16H,1H3,(H,24,25,26)