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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4/c1-3-4-5-11-9(2)17-16(19-14(11)21)18-10-6-7-13(20)12(8-10)15(22)23/h6-8,20H,3-5H2,1-2H3,(H,22,23)(H2,17,18,19,21)