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

Systemtic Name: 3-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

CCCCC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C15H17N3O4/c1-2-3-7-11-12(19)17-15(18-13(11)20)16-10-6-4-5-9(8-10)14(21)22/h4-6,8H,2-3,7H2,1H3,(H,21,22)(H3,16,17,18,19,20)