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

Systemtic Name: 2-[2-(hydroxymethyl)-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl]hexanoic acid Openeye Name: 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoic acid CAS Name: 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoic acid IUPAC Name: 2-[2-(hydroxymethyl)-4-oxo-6-phenyl-1H-pyrimidin-5-yl]hexanoic acid Traditional Name: 2-(4-keto-2-methylol-6-phenyl-1H-pyrimidin-5-yl)hexanoic acid Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4/c1-2-3-9-12(17(22)23)14-15(11-7-5-4-6-8-11)18-13(10-20)19-16(14)21/h4-8,12,20H,2-3,9-10H2,1H3,(H,22,23)(H,18,19,21)