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

Systemtic Name: 3-[[5-(2-methylpropyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 3-[(4-hydroxy-5-isobutyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 3-[[4-hydroxy-5-(2-methylpropyl)-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 3-[(4-hydroxy-5-isobutyl-6-keto-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

CC(C)CC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C15H17N3O4/c1-8(2)6-11-12(19)17-15(18-13(11)20)16-10-5-3-4-9(7-10)14(21)22/h3-5,7-8H,6H2,1-2H3,(H,21,22)(H3,16,17,18,19,20)