3-[1-(3-iodanylphenyl)-4,6-dimethyl-2-oxidanylidene-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[1-(3-iodanylphenyl)-4,6-dimethyl-2-oxidanylidene-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[1-(3-iodophenyl)-4,6-dimethyl-2-oxo-pyrimidin-5-yl]propanoic acid CAS Name: 3-[1-(3-iodophenyl)-4,6-dimethyl-2-oxo-5-pyrimidinyl]propanoic acid IUPAC Name: 3-[1-(3-iodophenyl)-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid Traditional Name: 3-[1-(3-iodophenyl)-2-keto-4,6-dimethyl-pyrimidin-5-yl]propionic acid Formula: C15H15IN2O3 MolecularWeight: 398.19567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1C2=CC(=CC=C2)I)C)CCC(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1C2=CC(=CC=C2)I)C)CCC(=O)O

InChI

InChI=1S/C15H15IN2O3/c1-9-13(6-7-14(19)20)10(2)18(15(21)17-9)12-5-3-4-11(16)8-12/h3-5,8H,6-7H2,1-2H3,(H,19,20)