1-(4-cyanophenyl)-4-ethyl-6-oxidanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-4-ethyl-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-4-ethyl-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 1-(4-cyanophenyl)-4-ethyl-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-4-ethyl-6-oxopyrimidine-5-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-4-ethyl-6-keto-pyrimidine-5-carboxylic acid Formula: C14H11N3O3 MolecularWeight: 269.25544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(C=N1)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCC1=C(C(=O)N(C=N1)C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C14H11N3O3/c1-2-11-12(14(19)20)13(18)17(8-16-11)10-5-3-9(7-15)4-6-10/h3-6,8H,2H2,1H3,(H,19,20)