6-oxidanylidene-2-(4-pentylphenyl)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-oxidanylidene-2-(4-pentylphenyl)-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-oxo-2-(4-pentylphenyl)-1H-pyrimidine-5-carboxylic acid CAS Name: 6-oxo-2-(4-pentylphenyl)-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-oxo-2-(4-pentylphenyl)-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(4-amylphenyl)-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-2-3-4-5-11-6-8-12(9-7-11)14-17-10-13(16(20)21)15(19)18-14/h6-10H,2-5H2,1H3,(H,20,21)(H,17,18,19)