ethyl 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoranyl-5-methyl-phenyl)pyrimidine-2-carboxylate

Systemtic Name: ethyl 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoranyl-5-methyl-phenyl)pyrimidine-2-carboxylate Openeye Name: ethyl 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoro-5-methyl-phenyl)pyrimidine-2-carboxylate CAS Name: 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)-2-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-6-(2,2-dimethylpropyl)-5-(2-fluoro-5-methylphenyl)pyrimidine-2-carboxylate Traditional Name: 4-cyano-5-(2-fluoro-5-methyl-phenyl)-6-neopentyl-pyrimidine-2-carboxylic acid ethyl ester Formula: C20H22FN3O2 MolecularWeight: 355.405983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2/c1-6-26-19(25)18-23-15(10-20(3,4)5)17(16(11-22)24-18)13-9-12(2)7-8-14(13)21/h7-9H,6,10H2,1-5H3