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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethyl-benzenesulfonate CAS Name: 2-methoxy-4,5-dimethylbenzenesulfonic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-methoxy-4,5-dimethylbenzenesulfonate Traditional Name: 2-methoxy-4,5-dimethyl-benzenesulfonic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S2/c1-13-10-18(27-4)19(11-14(13)2)30(25,26)28-17-8-6-16(7-9-17)23-20-12-15(3)22-21(24-20)29-5/h6-12H,1-5H3,(H,22,23,24)