ethyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-2-phenyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-2-phenyl-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-2-phenyl-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3,5-dimethyl-1-pyrazolyl)-2-phenyl-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3,5-dimethylpyrazol-1-yl)-2-phenyl-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3C(=CC(=N3)C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)N3C(=CC(=N3)C)C)C4=CC=CC=C4

InChI

InChI=1S/C24H23N5O2/c1-4-31-24(30)19-10-12-20(13-11-19)25-21-15-22(29-17(3)14-16(2)28-29)27-23(26-21)18-8-6-5-7-9-18/h5-15H,4H2,1-3H3,(H,25,26,27)