[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S2/c1-12-10-17(22-18(20-12)26-2)21-14-4-3-5-15(11-14)25-27(23,24)16-8-6-13(19)7-9-16/h3-11H,1-2H3,(H,20,21,22)