2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]ethyl benzoate

Systemtic Name: 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]ethyl benzoate Openeye Name: 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]ethyl benzoate CAS Name: benzoic acid 2-[cyano-(4,6-dimethyl-2-pyrimidinyl)amino]ethyl ester IUPAC Name: 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]ethyl benzoate Traditional Name: benzoic acid 2-[cyano-(4,6-dimethylpyrimidin-2-yl)amino]ethyl ester Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(CCOC(=O)C2=CC=CC=C2)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(CCOC(=O)C2=CC=CC=C2)C#N)C

InChI

InChI=1S/C16H16N4O2/c1-12-10-13(2)19-16(18-12)20(11-17)8-9-22-15(21)14-6-4-3-5-7-14/h3-7,10H,8-9H2,1-2H3