2-heptyl-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-heptyl-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-heptyl-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-heptyl-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-heptyl-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-heptyl-4-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=O)C(=C(N1)C)C(=O)O

Isomeric SMILES

CCCCCCCC1=NC(=O)C(=C(N1)C)C(=O)O

InChI

InChI=1S/C13H20N2O3/c1-3-4-5-6-7-8-10-14-9(2)11(13(17)18)12(16)15-10/h3-8H2,1-2H3,(H,17,18)(H,14,15,16)