3-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 3-[(4-oxidanyl-6-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(4-hydroxy-6-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(5-amyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-2-3-4-8-12-13(20)18-16(19-14(12)21)17-11-7-5-6-10(9-11)15(22)23/h5-7,9H,2-4,8H2,1H3,(H,22,23)(H3,17,18,19,20,21)