[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 4-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 4-cyanobenzoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C14H10N4O3 MolecularWeight: 282.2542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H10N4O3/c15-8-10-2-4-11(5-3-10)13(20)21-9-12(19)18-14-16-6-1-7-17-14/h1-7H,9H2,(H,16,17,18,19)