5-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-2-ethyl-3-methyl-6-oxidanylidene-pyrimidine-4-carboxylic acid

Systemtic Name: 5-[3-bromanyl-2-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-2-ethyl-3-methyl-6-oxidanylidene-pyrimidine-4-carboxylic acid Openeye Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-2-ethyl-3-methyl-6-oxo-pyrimidine-4-carboxylic acid CAS Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]-2-ethyl-3-methyl-6-oxo-4-pyrimidinecarboxylic acid IUPAC Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]-2-ethyl-3-methyl-6-oxopyrimidine-4-carboxylic acid Traditional Name: 5-[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]benzofuran-5-yl]-2-ethyl-6-keto-3-methyl-pyrimidine-4-carboxylic acid Formula: C23H17BrN6O4 MolecularWeight: 521.32288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=O)C(=C(N1C)C(=O)O)C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5

Isomeric SMILES

CCC1=NC(=O)C(=C(N1C)C(=O)O)C2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C5=NNN=N5

InChI

InChI=1S/C23H17BrN6O4/c1-3-16-25-22(31)17(19(23(32)33)30(16)2)11-8-9-15-14(10-11)18(24)20(34-15)12-6-4-5-7-13(12)21-26-28-29-27-21/h4-10H,3H2,1-2H3,(H,32,33)(H,26,27,28,29)