[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H15ClFN3O2S MolecularWeight: 403.857703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H15ClFN3O2S/c1-11-9-16(24-19(22-11)27-2)23-12-5-3-6-13(10-12)26-18(25)17-14(20)7-4-8-15(17)21/h3-10H,1-2H3,(H,22,23,24)