(2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide

Systemtic Name: (2R)-2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide Openeye Name: (2R)-2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-propanamide CAS Name: (2R)-2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-(2-cyanoethyl)-N-methylpropanamide IUPAC Name: (2R)-2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methylpropanamide Traditional Name: (2R)-2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-methyl-propionamide Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)N(C)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O2S/c1-11(2)23-17(25)14-7-6-13(19)10-15(14)21-18(23)26-12(3)16(24)22(4)9-5-8-20/h6-7,10-12H,5,9H2,1-4H3/t12-/m1/s1