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

Systemtic Name: (2R)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

C[C@H](C(=O)N[C@](C)(C#N)C(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC(C)C

InChI

InChI=1S/C21H28N4O2S/c1-13(2)11-25-19(27)16-9-7-8-10-17(16)23-20(25)28-15(5)18(26)24-21(6,12-22)14(3)4/h7-10,13-15H,11H2,1-6H3,(H,24,26)/t15-,21-/m1/s1