ethyl 8-cyano-1-ethyl-7-(4-fluorophenyl)-4-oxidanylidene-pyrrolo[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 8-cyano-1-ethyl-7-(4-fluorophenyl)-4-oxidanylidene-pyrrolo[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 8-cyano-1-ethyl-7-(4-fluorophenyl)-4-oxo-pyrrolo[1,2-a]pyrimidine-3-carboxylate CAS Name: 8-cyano-1-ethyl-7-(4-fluorophenyl)-4-oxo-3-pyrrolo[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-cyano-1-ethyl-7-(4-fluorophenyl)-4-oxopyrrolo[1,2-a]pyrimidine-3-carboxylate Traditional Name: 8-cyano-1-ethyl-7-(4-fluorophenyl)-4-keto-pyrrolo[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C19H16FN3O3 MolecularWeight: 353.347043

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)N2C1=C(C(=C2)C3=CC=C(C=C3)F)C#N)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)N2C1=C(C(=C2)C3=CC=C(C=C3)F)C#N)C(=O)OCC

InChI

InChI=1S/C19H16FN3O3/c1-3-22-10-16(19(25)26-4-2)18(24)23-11-15(14(9-21)17(22)23)12-5-7-13(20)8-6-12/h5-8,10-11H,3-4H2,1-2H3