[3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [3-[(6-methyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-methylpyrimidin-4-yl)amino]phenyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [3-[(6-methylpyrimidin-4-yl)amino]phenyl] ester Formula: C18H13ClFN3O2 MolecularWeight: 357.766123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClFN3O2/c1-11-8-16(22-10-21-11)23-12-4-2-5-13(9-12)25-18(24)17-14(19)6-3-7-15(17)20/h2-10H,1H3,(H,21,22,23)