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

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C24H21N5O5 MolecularWeight: 459.45404

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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=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H21N5O5/c1-32-21-14-22(33-2)27-24(26-21)25-20(30)15-34-23(31)19-13-18(16-9-5-3-6-10-16)28-29(19)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3,(H,25,26,27,30)