N-(tert-butylcarbamoyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]propionamide Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3

InChI

InChI=1S/C21H28N4O4S/c1-13(17(26)23-19(28)24-21(2,3)4)30-20-22-16-10-6-5-9-15(16)18(27)25(20)12-14-8-7-11-29-14/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H2,23,24,26,28)