2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H27ClN4OS MolecularWeight: 418.98328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N2CCC3=CC=CC=C3C2)Cl

InChI

InChI=1S/C21H27ClN4OS/c1-3-10-25(11-4-2)19-13-18(22)23-21(24-19)28-15-20(27)26-12-9-16-7-5-6-8-17(16)14-26/h5-8,13H,3-4,9-12,14-15H2,1-2H3