1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-pyrimidinylthio)-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrimidin-2-ylsulfanylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-pyrimidylthio)propan-1-one Formula: C16H17N3OS MolecularWeight: 299.39068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=CC=N3

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1)SC3=NC=CC=N3

InChI

InChI=1S/C16H17N3OS/c1-12(21-16-17-8-4-9-18-16)15(20)19-10-7-13-5-2-3-6-14(13)11-19/h2-6,8-9,12H,7,10-11H2,1H3