2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one

Systemtic Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one Openeye Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(2-ethyl-1-piperidyl)propan-1-one CAS Name: 2-[[4-(cyclopropylamino)-2-quinazolinyl]thio]-1-(2-ethyl-1-piperidinyl)-1-propanone IUPAC Name: 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one Traditional Name: 2-[[4-(cyclopropylamino)quinazolin-2-yl]thio]-1-(2-ethylpiperidino)propan-1-one Formula: C21H28N4OS MolecularWeight: 384.53822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NC3=CC=CC=C3C(=N2)NC4CC4

InChI

InChI=1S/C21H28N4OS/c1-3-16-8-6-7-13-25(16)20(26)14(2)27-21-23-18-10-5-4-9-17(18)19(24-21)22-15-11-12-15/h4-5,9-10,14-16H,3,6-8,11-13H2,1-2H3,(H,22,23,24)