2-(7-chloranyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C20H25ClN4O2S/c1-6-9-25-18(27)15-8-7-14(21)10-16(15)23-19(25)28-13(4)17(26)24-20(5,11-22)12(2)3/h7-8,10,12-13H,6,9H2,1-5H3,(H,24,26)