[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4)OC

InChI

InChI=1S/C22H19N5O5S/c1-30-19-12-20(31-2)25-22(24-19)23-18(28)13-32-21(29)16-11-15(17-9-6-10-33-17)26-27(16)14-7-4-3-5-8-14/h3-12H,13H2,1-2H3,(H,23,24,25,28)