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

Systemtic Name: 5-[[4-oxidanyl-6-oxidanylidene-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]furan-2-carboxylic acid Openeye Name: 5-[(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]furan-2-carboxylic acid CAS Name: 5-[[4-hydroxy-6-oxo-2-(phenylmethyl)-1H-pyrimidin-5-yl]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(2-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)methyl]furan-2-carboxylic acid Traditional Name: 5-[(2-benzyl-4-hydroxy-6-keto-1H-pyrimidin-5-yl)methyl]-2-furoic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CC3=CC=C(O3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CC3=CC=C(O3)C(=O)O)O

InChI

InChI=1S/C17H14N2O5/c20-15-12(9-11-6-7-13(24-11)17(22)23)16(21)19-14(18-15)8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,22,23)(H2,18,19,20,21)