2-heptan-3-yl-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-heptan-3-yl-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(1-ethylpentyl)-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-heptan-3-yl-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-heptan-3-yl-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(1-ethylpentyl)-4-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C13H20N2O3 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=NC(=O)C(=C(N1)C)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=NC(=O)C(=C(N1)C)C(=O)O

InChI

InChI=1S/C13H20N2O3/c1-4-6-7-9(5-2)11-14-8(3)10(13(17)18)12(16)15-11/h9H,4-7H2,1-3H3,(H,17,18)(H,14,15,16)