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

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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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)C

Isomeric SMILES

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

InChI

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