3-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoic acid CAS Name: 3-[4-hydroxy-6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)propanoic acid Traditional Name: 3-(2-benzyl-4-hydroxy-6-keto-1H-pyrimidin-5-yl)propionic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CCC(=O)O)O

InChI

InChI=1S/C14H14N2O4/c17-12(18)7-6-10-13(19)15-11(16-14(10)20)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,17,18)(H2,15,16,19,20)