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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)C1=C(NC(=NC1=O)CO)C2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C(C)C1=C(NC(=NC1=O)CO)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O4/c1-3-4-10-24-18(23)12(2)15-16(13-8-6-5-7-9-13)19-14(11-21)20-17(15)22/h5-9,12,21H,3-4,10-11H2,1-2H3,(H,19,20,22)