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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=O)NC(N1)N2C(=C(C=N2)C(=O)O)C

Isomeric SMILES

CCCCC1CC(=O)NC(N1)N2C(=C(C=N2)C(=O)O)C

InChI

InChI=1S/C13H20N4O3/c1-3-4-5-9-6-11(18)16-13(15-9)17-8(2)10(7-14-17)12(19)20/h7,9,13,15H,3-6H2,1-2H3,(H,16,18)(H,19,20)