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

Systemtic Name: 2-(4-hexylphenyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-hexylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-(4-hexylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(4-hexylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(4-hexylphenyl)-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C17H20N2O3/c1-2-3-4-5-6-12-7-9-13(10-8-12)15-18-11-14(17(21)22)16(20)19-15/h7-11H,2-6H2,1H3,(H,21,22)(H,18,19,20)