2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C16H16N6OS MolecularWeight: 340.40284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C16H16N6OS/c17-14-13-15(19-9-18-14)21-16(20-13)24-8-12(23)22-6-5-10-3-1-2-4-11(10)7-22/h1-4,9H,5-8H2,(H3,17,18,19,20,21)