(2S)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(2R)-2-cyano-3-methyl-butan-2-yl]propanamide

Systemtic Name: (2S)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-[(2R)-2-cyano-3-methyl-butan-2-yl]propanamide Openeye Name: (2S)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R)-1-cyano-1,2-dimethyl-propyl]propanamide CAS Name: (2S)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide IUPAC Name: (2S)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide Traditional Name: (2S)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]propionamide Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C(C)C

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C(C)C

InChI

InChI=1S/C20H25ClN4O2S/c1-11(2)20(6,10-22)24-17(26)13(5)28-19-23-16-9-14(21)7-8-15(16)18(27)25(19)12(3)4/h7-9,11-13H,1-6H3,(H,24,26)/t13-,20-/m0/s1