(2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(2-cyclopropyl-4-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-[(2-cyclopropylquinazolin-4-yl)thio]propionamide Formula: C20H24N4OS MolecularWeight: 368.49576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC(=NC2=CC=CC=C21)C3CC3

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)SC1=NC(=NC2=CC=CC=C21)C3CC3

InChI

InChI=1S/C20H24N4OS/c1-12(2)20(4,11-21)24-18(25)13(3)26-19-15-7-5-6-8-16(15)22-17(23-19)14-9-10-14/h5-8,12-14H,9-10H2,1-4H3,(H,24,25)/t13-,20-/m0/s1