(2S)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(4-ethanoylphenyl)propanamide

Systemtic Name: (2S)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(4-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)C)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)S[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=O)C)C#N

InChI

InChI=1S/C18H18N4O2S/c1-10-16(9-19)18(21-13(4)20-10)25-12(3)17(24)22-15-7-5-14(6-8-15)11(2)23/h5-8,12H,1-4H3,(H,22,24)/t12-/m0/s1