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

Systemtic Name: 5-[[5-(3-methylbutyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(4-hydroxy-5-isopentyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[4-hydroxy-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[(4-hydroxy-5-isoamyl-6-keto-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(N=C(NC1=O)NC2=CC(=C(C=C2)O)C(=O)O)O

Isomeric SMILES

CC(C)CCC1=C(N=C(NC1=O)NC2=CC(=C(C=C2)O)C(=O)O)O

InChI

InChI=1S/C16H19N3O5/c1-8(2)3-5-10-13(21)18-16(19-14(10)22)17-9-4-6-12(20)11(7-9)15(23)24/h4,6-8,20H,3,5H2,1-2H3,(H,23,24)(H3,17,18,19,21,22)