N-[4-[(7-chloranylquinolin-4-yl)amino]cyclohexyl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[(7-chloranylquinolin-4-yl)amino]cyclohexyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-[(7-chloro-4-quinolyl)amino]cyclohexyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-[(7-chloro-4-quinolinyl)amino]cyclohexyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[4-[(7-chloroquinolin-4-yl)amino]cyclohexyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[4-[(7-chloro-4-quinolyl)amino]cyclohexyl]-2-(2-pyrimidylthio)acetamide Formula: C21H22ClN5OS MolecularWeight: 427.95028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C3C=CC(=CC3=NC=C2)Cl)NC(=O)CSC4=NC=CC=N4

Isomeric SMILES

C1CC(CCC1NC2=C3C=CC(=CC3=NC=C2)Cl)NC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C21H22ClN5OS/c22-14-2-7-17-18(8-11-23-19(17)12-14)26-15-3-5-16(6-4-15)27-20(28)13-29-21-24-9-1-10-25-21/h1-2,7-12,15-16H,3-6,13H2,(H,23,26)(H,27,28)