3-[1-(4,6-dimethylpyrimidin-2-yl)-6-oxidanylidene-pyridazin-3-yl]propanoic acid

Systemtic Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)-6-oxidanylidene-pyridazin-3-yl]propanoic acid Openeye Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)-6-oxo-pyridazin-3-yl]propanoic acid CAS Name: 3-[1-(4,6-dimethyl-2-pyrimidinyl)-6-oxo-3-pyridazinyl]propanoic acid IUPAC Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)-6-oxopyridazin-3-yl]propanoic acid Traditional Name: 3-[1-(4,6-dimethylpyrimidin-2-yl)-6-keto-pyridazin-3-yl]propionic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C(=O)C=CC(=N2)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C(=O)C=CC(=N2)CCC(=O)O)C

InChI

InChI=1S/C13H14N4O3/c1-8-7-9(2)15-13(14-8)17-11(18)5-3-10(16-17)4-6-12(19)20/h3,5,7H,4,6H2,1-2H3,(H,19,20)