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

Systemtic Name: 5-[(6-methyl-4-oxidanylidene-5-pentyl-1H-pyrimidin-2-yl)amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 2-hydroxy-5-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 2-hydroxy-5-[(6-methyl-4-oxo-5-pentyl-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 5-[(5-amyl-4-keto-6-methyl-1H-pyrimidin-2-yl)amino]-2-hydroxy-benzoic acid Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-3-4-5-6-12-10(2)18-17(20-15(12)22)19-11-7-8-14(21)13(9-11)16(23)24/h7-9,21H,3-6H2,1-2H3,(H,23,24)(H2,18,19,20,22)