methyl 3-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoranyl-pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoranyl-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoro-pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-(2,3-dimethyl-4-imidazolyl)-5-fluoro-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoro-pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C17H16FN5O2 MolecularWeight: 341.339643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C)C2=NC(=NC=C2F)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=NC=C(N1C)C2=NC(=NC=C2F)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C17H16FN5O2/c1-10-19-9-14(23(10)2)15-13(18)8-20-17(22-15)21-12-6-4-5-11(7-12)16(24)25-3/h4-9H,1-3H3,(H,20,21,22)