ethyl 4-[[6-(3-methyl-5-phenyl-pyrazol-1-yl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 4-[[6-(3-methyl-5-phenyl-pyrazol-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 4-[[6-(3-methyl-5-phenyl-pyrazol-1-yl)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(3-methyl-5-phenyl-1-pyrazolyl)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(3-methyl-5-phenyl-pyrazol-1-yl)pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C23H21N5O2 MolecularWeight: 399.44514

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H21N5O2/c1-3-30-23(29)18-9-11-19(12-10-18)26-21-14-22(25-15-24-21)28-20(13-16(2)27-28)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,24,25,26)