N-[(3-chlorophenyl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methyl-ethanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methyl-ethanamide Openeye Name: N-[(3-chlorophenyl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methyl-acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-N-methylacetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide Traditional Name: N-(3-chlorobenzyl)-2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-N-methyl-acetamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H21ClN4OS/c1-26(12-14-5-4-6-15(22)11-14)19(27)13-28-21-24-18-8-3-2-7-17(18)20(25-21)23-16-9-10-16/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,24,25)