2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: 2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide Openeye Name: 2-(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide CAS Name: 2-[(5-cyano-2-cyclopropyl-6-methyl-4-pyrimidinyl)thio]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 2-(5-cyano-2-cyclopropyl-6-methylpyrimidin-4-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide Traditional Name: 2-[(5-cyano-2-cyclopropyl-6-methyl-pyrimidin-4-yl)thio]-N-(2,5-dimethylphenyl)propionamide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC(=NC(=C2C#N)C)C3CC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC(=NC(=C2C#N)C)C3CC3

InChI

InChI=1S/C20H22N4OS/c1-11-5-6-12(2)17(9-11)23-19(25)14(4)26-20-16(10-21)13(3)22-18(24-20)15-7-8-15/h5-6,9,14-15H,7-8H2,1-4H3,(H,23,25)