N-(2,6-dimethylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C15H15N5OS MolecularWeight: 313.3775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5OS/c1-9-4-3-5-10(2)12(9)20-11(21)6-22-15-13-14(17-7-16-13)18-8-19-15/h3-5,7-8H,6H2,1-2H3,(H,20,21)(H,16,17,18,19)