propan-2-yl 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoranyl-4-methoxy-phenyl)pyrimidine-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoranyl-4-methoxy-phenyl)pyrimidine-2-carboxylate Openeye Name: isopropyl 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoro-4-methoxy-phenyl)pyrimidine-2-carboxylate CAS Name: 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoro-4-methoxyphenyl)-2-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoro-4-methoxyphenyl)pyrimidine-2-carboxylate Traditional Name: 4-cyano-5-(2-fluoro-4-methoxy-phenyl)-6-neopentyl-pyrimidine-2-carboxylic acid isopropyl ester Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NC(=C(C(=N1)CC(C)(C)C)C2=C(C=C(C=C2)OC)F)C#N

Isomeric SMILES

CC(C)OC(=O)C1=NC(=C(C(=N1)CC(C)(C)C)C2=C(C=C(C=C2)OC)F)C#N

InChI

InChI=1S/C21H24FN3O3/c1-12(2)28-20(26)19-24-16(10-21(3,4)5)18(17(11-23)25-19)14-8-7-13(27-6)9-15(14)22/h7-9,12H,10H2,1-6H3