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

Systemtic Name: 2-(4-heptylphenyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-(4-heptylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-(4-heptylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-(4-heptylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-(4-heptylphenyl)-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C18H22N2O3/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)16-19-12-15(18(22)23)17(21)20-16/h8-12H,2-7H2,1H3,(H,22,23)(H,19,20,21)