5-[2-[[3-[2,4,6-tris(oxidanyl)phenyl]phenyl]carbonylamino]pyrimidin-5-yl]furan-2-carboxylic acid

Systemtic Name: 5-[2-[[3-[2,4,6-tris(oxidanyl)phenyl]phenyl]carbonylamino]pyrimidin-5-yl]furan-2-carboxylic acid Openeye Name: 5-[2-[[3-(2,4,6-trihydroxyphenyl)benzoyl]amino]pyrimidin-5-yl]furan-2-carboxylic acid CAS Name: 5-[2-[[oxo-[3-(2,4,6-trihydroxyphenyl)phenyl]methyl]amino]-5-pyrimidinyl]-2-furancarboxylic acid IUPAC Name: 5-[2-[[3-(2,4,6-trihydroxyphenyl)benzoyl]amino]pyrimidin-5-yl]furan-2-carboxylic acid Traditional Name: 5-[2-[[3-(2,4,6-trihydroxyphenyl)benzoyl]amino]pyrimidin-5-yl]-2-furoic acid Formula: C22H15N3O7 MolecularWeight: 433.3704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=NC=C(C=N2)C3=CC=C(O3)C(=O)O)C4=C(C=C(C=C4O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=NC=C(C=N2)C3=CC=C(O3)C(=O)O)C4=C(C=C(C=C4O)O)O

InChI

InChI=1S/C22H15N3O7/c26-14-7-15(27)19(16(28)8-14)11-2-1-3-12(6-11)20(29)25-22-23-9-13(10-24-22)17-4-5-18(32-17)21(30)31/h1-10,26-28H,(H,30,31)(H,23,24,25,29)