2-[5-cyano-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[5-cyano-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[5-cyano-2-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide CAS Name: 2-[5-cyano-2-(4-fluorophenyl)-6-oxo-1-pyrimidinyl]-N-(3,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[5-cyano-2-(4-fluorophenyl)-6-oxopyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide Traditional Name: 2-[5-cyano-2-(4-fluorophenyl)-6-keto-pyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide Formula: C21H17FN4O4 MolecularWeight: 408.382483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CN2C(=NC=C(C2=O)C#N)C3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CN2C(=NC=C(C2=O)C#N)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C21H17FN4O4/c1-29-17-7-16(8-18(9-17)30-2)25-19(27)12-26-20(13-3-5-15(22)6-4-13)24-11-14(10-23)21(26)28/h3-9,11H,12H2,1-2H3,(H,25,27)