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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC(=C(C=C2)O)C(=O)O)CC(C)C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC(=C(C=C2)O)C(=O)O)CC(C)C

InChI

InChI=1S/C16H19N3O4/c1-8(2)6-11-9(3)17-16(19-14(11)21)18-10-4-5-13(20)12(7-10)15(22)23/h4-5,7-8,20H,6H2,1-3H3,(H,22,23)(H2,17,18,19,21)