methyl 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate CAS Name: 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoate Traditional Name: 3-[[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C21H16FN5O2 MolecularWeight: 389.382443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2=NC=CC(=N2)C3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H16FN5O2/c1-29-20(28)14-3-2-4-16(11-14)25-21-23-10-9-18(26-21)17-12-24-27-19(17)13-5-7-15(22)8-6-13/h2-12H,1H3,(H,24,27)(H,23,25,26)