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

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-fluoranylbenzoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C19H16FN3O2S MolecularWeight: 369.412643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O2S/c1-12-10-17(23-19(21-12)26-2)22-15-4-3-5-16(11-15)25-18(24)13-6-8-14(20)9-7-13/h3-11H,1-2H3,(H,21,22,23)