N-(2-cyano-3-methyl-butan-2-yl)-2-quinazolin-4-ylsulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-quinazolin-4-ylsulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-quinazolin-4-ylsulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-(4-quinazolinylthio)propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-quinazolin-4-ylsulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(quinazolin-4-ylthio)propionamide Formula: C17H20N4OS MolecularWeight: 328.4319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC=NC2=CC=CC=C21

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC=NC2=CC=CC=C21

InChI

InChI=1S/C17H20N4OS/c1-11(2)17(4,9-18)21-15(22)12(3)23-16-13-7-5-6-8-14(13)19-10-20-16/h5-8,10-12H,1-4H3,(H,21,22)