methyl (2S)-2-[cyano-(4-methyl-6-phenoxy-pyrimidin-2-yl)amino]propanoate

Systemtic Name: methyl (2S)-2-[cyano-(4-methyl-6-phenoxy-pyrimidin-2-yl)amino]propanoate Openeye Name: methyl (2S)-2-[cyano-(4-methyl-6-phenoxy-pyrimidin-2-yl)amino]propanoate CAS Name: (2S)-2-[cyano-(4-methyl-6-phenoxy-2-pyrimidinyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[cyano-(4-methyl-6-phenoxypyrimidin-2-yl)amino]propanoate Traditional Name: (2S)-2-[cyano-(4-methyl-6-phenoxy-pyrimidin-2-yl)amino]propionic acid methyl ester Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(C#N)C(C)C(=O)OC)OC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=NC(=N1)N(C#N)[C@@H](C)C(=O)OC)OC2=CC=CC=C2

InChI

InChI=1S/C16H16N4O3/c1-11-9-14(23-13-7-5-4-6-8-13)19-16(18-11)20(10-17)12(2)15(21)22-3/h4-9,12H,1-3H3/t12-/m0/s1