2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-methyl-ethanamide Openeye Name: 2-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methyl-acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]-N-(2-cyanoethyl)-N-methylacetamide IUPAC Name: 2-(3-benzyl-7-chloro-4-oxoquinazolin-2-yl)sulfanyl-N-(2-cyanoethyl)-N-methylacetamide Traditional Name: 2-[(3-benzyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(2-cyanoethyl)-N-methyl-acetamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H19ClN4O2S/c1-25(11-5-10-23)19(27)14-29-21-24-18-12-16(22)8-9-17(18)20(28)26(21)13-15-6-3-2-4-7-15/h2-4,6-9,12H,5,11,13-14H2,1H3