2-oxidanyl-5-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 2-oxidanyl-5-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 2-hydroxy-5-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 5-[(5-amyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]-2-hydroxy-benzoic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C(NC1=O)NC2=CC(=C(C=C2)O)C(=O)O)O

Isomeric SMILES

CCCCCC1=C(N=C(NC1=O)NC2=CC(=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C16H19N3O5/c1-2-3-4-5-10-13(21)18-16(19-14(10)22)17-9-6-7-12(20)11(8-9)15(23)24/h6-8,20H,2-5H2,1H3,(H,23,24)(H3,17,18,19,21,22)