(2S)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3CC3

Isomeric SMILES

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3CC3

InChI

InChI=1S/C20H24N4O2S/c1-12(2)20(4,11-21)23-17(25)13(3)27-19-22-16-8-6-5-7-15(16)18(26)24(19)14-9-10-14/h5-8,12-14H,9-10H2,1-4H3,(H,23,25)/t13-,20+/m0/s1