(2S)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Openeye Name: (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide CAS Name: (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2,3-dimethylphenyl)propanamide IUPAC Name: (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide Traditional Name: (2S)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2,3-dimethylphenyl)propionamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)[C@H](C)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C22H20N4O2S/c1-13-8-7-11-18(14(13)2)24-20(27)15(3)29-22-25-19(16-9-5-4-6-10-16)17(12-23)21(28)26-22/h4-11,15H,1-3H3,(H,24,27)(H,25,26,28)/t15-/m0/s1