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

Systemtic Name: ethyl 2-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]hexanoate Openeye Name: ethyl 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoate CAS Name: 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoate Traditional Name: 2-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)hexanoic acid ethyl ester Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(NC(=NC1=O)CO)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC(C1=C(NC(=NC1=O)CO)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H24N2O4/c1-3-5-11-14(19(24)25-4-2)16-17(13-9-7-6-8-10-13)20-15(12-22)21-18(16)23/h6-10,14,22H,3-5,11-12H2,1-2H3,(H,20,21,23)