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

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate CAS Name: 2-methoxy-4,5-dimethylbenzenesulfonic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethylbenzenesulfonate Traditional Name: 2-methoxy-4,5-dimethyl-benzenesulfonic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-13-8-18(26-4)19(9-14(13)2)28(24,25)27-17-7-5-6-16(11-17)23-20-10-15(3)21-12-22-20/h5-12H,1-4H3,(H,21,22,23)