ethyl 4-[[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H18FN3O2 MolecularWeight: 351.374223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H18FN3O2/c1-3-26-20(25)14-7-9-17(10-8-14)23-18-11-13(2)22-19(24-18)15-5-4-6-16(21)12-15/h4-12H,3H2,1-2H3,(H,22,23,24)