ethyl 2-[3-[3-(2,5-dimethylpyrimidin-4-yl)phenyl]pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[3-(2,5-dimethylpyrimidin-4-yl)phenyl]pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[3-(2,5-dimethylpyrimidin-4-yl)phenyl]pyrazol-1-yl]acetate CAS Name: 2-[3-[3-(2,5-dimethyl-4-pyrimidinyl)phenyl]-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-(2,5-dimethylpyrimidin-4-yl)phenyl]pyrazol-1-yl]acetate Traditional Name: 2-[3-[3-(2,5-dimethylpyrimidin-4-yl)phenyl]pyrazol-1-yl]acetic acid ethyl ester Formula: C19H20N4O2 MolecularWeight: 336.3877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=CC(=N1)C2=CC(=CC=C2)C3=NC(=NC=C3C)C

Isomeric SMILES

CCOC(=O)CN1C=CC(=N1)C2=CC(=CC=C2)C3=NC(=NC=C3C)C

InChI

InChI=1S/C19H20N4O2/c1-4-25-18(24)12-23-9-8-17(22-23)15-6-5-7-16(10-15)19-13(2)11-20-14(3)21-19/h5-11H,4,12H2,1-3H3