5-(1-benzofuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(1-benzofuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Openeye Name: 5-(benzofuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid CAS Name: 5-(2-benzofuranyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(1-benzofuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(benzofuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)pyrazole-3-carboxylic acid Formula: C18H14N4O3 MolecularWeight: 334.32876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC4=CC=CC=C4O3)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C(=O)O)C3=CC4=CC=CC=C4O3)C

InChI

InChI=1S/C18H14N4O3/c1-10-7-11(2)20-18(19-10)22-14(9-13(21-22)17(23)24)16-8-12-5-3-4-6-15(12)25-16/h3-9H,1-2H3,(H,23,24)