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

Systemtic Name: (2S)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(4-dimethylaminophenyl)propanamide Openeye Name: (2S)-2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(4-dimethylaminophenyl)propanamide CAS Name: (2S)-2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-N-(4-dimethylaminophenyl)propanamide IUPAC Name: (2S)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(4-dimethylaminophenyl)propanamide Traditional Name: (2S)-2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]-N-(4-dimethylaminophenyl)propionamide Formula: C18H21N5OS MolecularWeight: 355.45724

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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)N(C)C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5OS/c1-11-16(10-19)18(21-13(3)20-11)25-12(2)17(24)22-14-6-8-15(9-7-14)23(4)5/h6-9,12H,1-5H3,(H,22,24)/t12-/m0/s1