ethyl (2S)-2-(6-chloranylpyrimidin-4-yl)-2-cyano-ethanoate

Systemtic Name: ethyl (2S)-2-(6-chloranylpyrimidin-4-yl)-2-cyano-ethanoate Openeye Name: ethyl (2S)-2-(6-chloropyrimidin-4-yl)-2-cyano-acetate CAS Name: (2S)-2-(6-chloro-4-pyrimidinyl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(6-chloropyrimidin-4-yl)-2-cyanoacetate Traditional Name: (2S)-2-(6-chloropyrimidin-4-yl)-2-cyano-acetic acid ethyl ester Formula: C9H8ClN3O2 MolecularWeight: 225.63172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=CC(=NC=N1)Cl

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=CC(=NC=N1)Cl

InChI

InChI=1S/C9H8ClN3O2/c1-2-15-9(14)6(4-11)7-3-8(10)13-5-12-7/h3,5-6H,2H2,1H3/t6-/m1/s1