(E)-4-(4,6-ditert-butyl-5-oxidanyl-pyrimidin-2-yl)-1-phenoxy-but-3-en-2-one

Systemtic Name: (E)-4-(4,6-ditert-butyl-5-oxidanyl-pyrimidin-2-yl)-1-phenoxy-but-3-en-2-one Openeye Name: (E)-4-(4,6-ditert-butyl-5-hydroxy-pyrimidin-2-yl)-1-phenoxy-but-3-en-2-one CAS Name: (E)-4-(4,6-ditert-butyl-5-hydroxy-2-pyrimidinyl)-1-phenoxy-3-buten-2-one IUPAC Name: (E)-4-(4,6-ditert-butyl-5-hydroxypyrimidin-2-yl)-1-phenoxybut-3-en-2-one Traditional Name: (E)-4-(4,6-ditert-butyl-5-hydroxy-pyrimidin-2-yl)-1-phenoxy-but-3-en-2-one Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=NC(=N1)C=CC(=O)COC2=CC=CC=C2)C(C)(C)C)O

Isomeric SMILES

CC(C)(C)C1=C(C(=NC(=N1)/C=C/C(=O)COC2=CC=CC=C2)C(C)(C)C)O

InChI

InChI=1S/C22H28N2O3/c1-21(2,3)19-18(26)20(22(4,5)6)24-17(23-19)13-12-15(25)14-27-16-10-8-7-9-11-16/h7-13,26H,14H2,1-6H3/b13-12+