1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(7H-purin-6-ylthio)ethanone Formula: C16H15N5OS MolecularWeight: 325.3882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C16H15N5OS/c22-13(21-6-5-11-3-1-2-4-12(11)7-21)8-23-16-14-15(18-9-17-14)19-10-20-16/h1-4,9-10H,5-8H2,(H,17,18,19,20)