2-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[6-[(E)-2-(4-bromophenyl)vinyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]-2-phenyl-acetic acid CAS Name: 2-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]-2-phenylacetic acid IUPAC Name: 2-[6-[(E)-2-(4-bromophenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]-2-phenylacetic acid Traditional Name: 2-[6-[(E)-2-(4-bromophenyl)vinyl]-4-keto-2-methyl-1H-pyrimidin-5-yl]-2-phenyl-acetic acid Formula: C21H17BrN2O3 MolecularWeight: 425.27528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=C(C=C2)Br)C(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=C(C=C2)Br)C(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H17BrN2O3/c1-13-23-17(12-9-14-7-10-16(22)11-8-14)19(20(25)24-13)18(21(26)27)15-5-3-2-4-6-15/h2-12,18H,1H3,(H,26,27)(H,23,24,25)/b12-9+