4-[5-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)pyridin-3-yl]benzoic acid

Systemtic Name: 4-[5-(2-methyl-4-oxidanylidene-1H-pyrimidin-6-yl)pyridin-3-yl]benzoic acid Openeye Name: 4-[5-(2-methyl-4-oxo-1H-pyrimidin-6-yl)-3-pyridyl]benzoic acid CAS Name: 4-[5-(2-methyl-4-oxo-1H-pyrimidin-6-yl)-3-pyridinyl]benzoic acid IUPAC Name: 4-[5-(2-methyl-4-oxo-1H-pyrimidin-6-yl)pyridin-3-yl]benzoic acid Traditional Name: 4-[5-(4-keto-2-methyl-1H-pyrimidin-6-yl)-3-pyridyl]benzoic acid Formula: C17H13N3O3 MolecularWeight: 307.30342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2=CN=CC(=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NC(=O)C=C(N1)C2=CN=CC(=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H13N3O3/c1-10-19-15(7-16(21)20-10)14-6-13(8-18-9-14)11-2-4-12(5-3-11)17(22)23/h2-9H,1H3,(H,22,23)(H,19,20,21)