3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]-2-methyl-propanoic acid

Systemtic Name: 3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]-2-methyl-propanoic acid Openeye Name: 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methyl-propanoic acid CAS Name: 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methylpropanoic acid IUPAC Name: 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]-2-methylpropanoic acid Traditional Name: 3-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)-2-methyl-propionic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(NC(=NC1=O)CO)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CC1=C(NC(=NC1=O)CO)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H16N2O4/c1-9(15(20)21)7-11-13(10-5-3-2-4-6-10)16-12(8-18)17-14(11)19/h2-6,9,18H,7-8H2,1H3,(H,20,21)(H,16,17,19)