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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C(N=C(NC1=O)CC2=CC=CC=C2)O)C(=O)O

Isomeric SMILES

CCCCC(C1=C(N=C(NC1=O)CC2=CC=CC=C2)O)C(=O)O

InChI

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