tert-butyl 5-benzamido-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidine-1-carboxylate

Systemtic Name: tert-butyl 5-benzamido-2-(4-fluorophenyl)-6-oxidanylidene-pyrimidine-1-carboxylate Openeye Name: tert-butyl 5-benzamido-2-(4-fluorophenyl)-6-oxo-pyrimidine-1-carboxylate CAS Name: 5-benzamido-2-(4-fluorophenyl)-6-oxo-1-pyrimidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-benzamido-2-(4-fluorophenyl)-6-oxopyrimidine-1-carboxylate Traditional Name: 5-benzamido-2-(4-fluorophenyl)-6-keto-pyrimidine-1-carboxylic acid tert-butyl ester Formula: C22H20FN3O4 MolecularWeight: 409.410303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=NC=C(C1=O)NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=NC=C(C1=O)NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H20FN3O4/c1-22(2,3)30-21(29)26-18(14-9-11-16(23)12-10-14)24-13-17(20(26)28)25-19(27)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,25,27)