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

Systemtic Name: 1-(4-methyl-6-oxidanylidene-1,3-diazinan-2-yl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid Openeye Name: 5-isobutyl-1-(4-methyl-6-oxo-hexahydropyrimidin-2-yl)pyrazole-3-carboxylic acid CAS Name: 1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-5-(2-methylpropyl)-3-pyrazolecarboxylic acid IUPAC Name: 1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-5-(2-methylpropyl)pyrazole-3-carboxylic acid Traditional Name: 5-isobutyl-1-(4-keto-6-methyl-hexahydropyrimidin-2-yl)pyrazole-3-carboxylic acid Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(N1)N2C(=CC(=N2)C(=O)O)CC(C)C

Isomeric SMILES

CC1CC(=O)NC(N1)N2C(=CC(=N2)C(=O)O)CC(C)C

InChI

InChI=1S/C13H20N4O3/c1-7(2)4-9-6-10(12(19)20)16-17(9)13-14-8(3)5-11(18)15-13/h6-8,13-14H,4-5H2,1-3H3,(H,15,18)(H,19,20)