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

Systemtic Name: 5-[[5-(2-methylprop-2-enyl)-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[4-hydroxy-5-(2-methylallyl)-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[4-hydroxy-5-(2-methylprop-2-enyl)-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[4-hydroxy-5-(2-methylprop-2-enyl)-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[[4-hydroxy-6-keto-5-(2-methylallyl)-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C15H15N3O5 MolecularWeight: 317.2967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5/c1-7(2)5-10-12(20)17-15(18-13(10)21)16-8-3-4-11(19)9(6-8)14(22)23/h3-4,6,19H,1,5H2,2H3,(H,22,23)(H3,16,17,18,20,21)