5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxidanylidene-pyrimidine-4-carboxylic acid

Systemtic Name: 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxidanylidene-pyrimidine-4-carboxylic acid Openeye Name: 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxo-4-pyrimidinecarboxylic acid IUPAC Name: 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-6-oxopyrimidine-4-carboxylic acid Traditional Name: 5-ethyl-1-[2-(3-fluorophenyl)ethyl]-6-keto-2-(2-methoxyphenyl)pyrimidine-4-carboxylic acid Formula: C22H21FN2O4 MolecularWeight: 396.411543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N(C1=O)CCC2=CC(=CC=C2)F)C3=CC=CC=C3OC)C(=O)O

Isomeric SMILES

CCC1=C(N=C(N(C1=O)CCC2=CC(=CC=C2)F)C3=CC=CC=C3OC)C(=O)O

InChI

InChI=1S/C22H21FN2O4/c1-3-16-19(22(27)28)24-20(17-9-4-5-10-18(17)29-2)25(21(16)26)12-11-14-7-6-8-15(23)13-14/h4-10,13H,3,11-12H2,1-2H3,(H,27,28)