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

Systemtic Name: 5-[(5-butyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 5-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-2-hydroxy-benzoic acid CAS Name: 5-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-2-hydroxybenzoic acid IUPAC Name: 5-[(5-butyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]-2-hydroxybenzoic acid Traditional Name: 5-[(5-butyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]-2-hydroxy-benzoic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O5/c1-2-3-4-9-12(20)17-15(18-13(9)21)16-8-5-6-11(19)10(7-8)14(22)23/h5-7,19H,2-4H2,1H3,(H,22,23)(H3,16,17,18,20,21)