1-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid

Systemtic Name: 1-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 5-isobutyl-1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazole-3-carboxylic acid CAS Name: 1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 5-isobutyl-1-(4-keto-6-methyl-1H-pyrimidin-2-yl)pyrazole-3-carboxylic acid Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(=O)O)CC(C)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(=O)O)CC(C)C

InChI

InChI=1S/C13H16N4O3/c1-7(2)4-9-6-10(12(19)20)16-17(9)13-14-8(3)5-11(18)15-13/h5-7H,4H2,1-3H3,(H,19,20)(H,14,15,18)