4-tert-butyl-N-[4-(3-fluorophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-(3-fluorophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyrimidin-2-yl]benzamide Openeye Name: 4-tert-butyl-N-[4-(3-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide CAS Name: 4-tert-butyl-N-[4-(3-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide IUPAC Name: 4-tert-butyl-N-[4-(3-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide Traditional Name: 4-tert-butyl-N-[4-(3-fluorophenyl)-6-keto-4,5-dihydro-1H-pyrimidin-2-yl]benzamide Formula: C21H22FN3O2 MolecularWeight: 367.416683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(CC(=O)N2)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NC(CC(=O)N2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H22FN3O2/c1-21(2,3)15-9-7-13(8-10-15)19(27)25-20-23-17(12-18(26)24-20)14-5-4-6-16(22)11-14/h4-11,17H,12H2,1-3H3,(H2,23,24,25,26,27)