2-methylpropyl 3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]propanoate

Systemtic Name: 2-methylpropyl 3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]propanoate Openeye Name: isobutyl 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)propionic acid isobutyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CCC1=C(NC(=NC1=O)CO)C2=CC=CC=C2

Isomeric SMILES

CC(C)COC(=O)CCC1=C(NC(=NC1=O)CO)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O4/c1-12(2)11-24-16(22)9-8-14-17(13-6-4-3-5-7-13)19-15(10-21)20-18(14)23/h3-7,12,21H,8-11H2,1-2H3,(H,19,20,23)