[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate

Systemtic Name: [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-fluoranyl-benzoate Openeye Name: [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl] 2-amino-4-fluoro-benzoate CAS Name: 2-amino-4-fluorobenzoic acid [2-[[2-(4,6-dimethyl-2-pyrimidinyl)-5-methyl-3-pyrazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 2-amino-4-fluorobenzoate Traditional Name: 2-amino-4-fluoro-benzoic acid [2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methyl-pyrazol-3-yl]amino]-2-keto-ethyl] ester Formula: C19H19FN6O3 MolecularWeight: 398.390963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)COC(=O)C3=C(C=C(C=C3)F)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)NC(=O)COC(=O)C3=C(C=C(C=C3)F)N)C

InChI

InChI=1S/C19H19FN6O3/c1-10-6-11(2)23-19(22-10)26-16(7-12(3)25-26)24-17(27)9-29-18(28)14-5-4-13(20)8-15(14)21/h4-8H,9,21H2,1-3H3,(H,24,27)