1-(4-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(4-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(p-tolyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(4-methylphenyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(4-methylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(p-tolyl)-2-(7H-purin-6-ylthio)ethanone Formula: C14H12N4OS MolecularWeight: 284.33628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H12N4OS/c1-9-2-4-10(5-3-9)11(19)6-20-14-12-13(16-7-15-12)17-8-18-14/h2-5,7-8H,6H2,1H3,(H,15,16,17,18)