2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanyl-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(5-cyclopropyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]-N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4)C#N

InChI

InChI=1S/C21H20N6OS/c1-13-17(11-22)21(24-14(2)23-13)29-12-20(28)25-19-10-18(15-8-9-15)26-27(19)16-6-4-3-5-7-16/h3-7,10,15H,8-9,12H2,1-2H3,(H,25,28)