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

Systemtic Name: butyl 3-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]propanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-2-3-11-24-16(22)10-9-14-17(13-7-5-4-6-8-13)19-15(12-21)20-18(14)23/h4-8,21H,2-3,9-12H2,1H3,(H,19,20,23)