2-ethyl-6-(4-fluorophenyl)-3-[2-[4-(2-methyl-3-oxidanylidene-butyl)phenoxy]ethyl]pyrimidin-4-one

Systemtic Name: 2-ethyl-6-(4-fluorophenyl)-3-[2-[4-(2-methyl-3-oxidanylidene-butyl)phenoxy]ethyl]pyrimidin-4-one Openeye Name: 2-ethyl-6-(4-fluorophenyl)-3-[2-[4-(2-methyl-3-oxo-butyl)phenoxy]ethyl]pyrimidin-4-one CAS Name: 2-ethyl-6-(4-fluorophenyl)-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]-4-pyrimidinone IUPAC Name: 2-ethyl-6-(4-fluorophenyl)-3-[2-[4-(2-methyl-3-oxobutyl)phenoxy]ethyl]pyrimidin-4-one Traditional Name: 2-ethyl-6-(4-fluorophenyl)-3-[2-[4-(3-keto-2-methyl-butyl)phenoxy]ethyl]pyrimidin-4-one Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CCOC2=CC=C(C=C2)CC(C)C(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NC(=CC(=O)N1CCOC2=CC=C(C=C2)CC(C)C(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN2O3/c1-4-24-27-23(20-7-9-21(26)10-8-20)16-25(30)28(24)13-14-31-22-11-5-19(6-12-22)15-17(2)18(3)29/h5-12,16-17H,4,13-15H2,1-3H3