N-(2,4-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3NC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3NC=N4)C

InChI

InChI=1S/C21H19N5OS/c1-13-8-9-16(14(2)10-13)26-20(27)18(15-6-4-3-5-7-15)28-21-17-19(23-11-22-17)24-12-25-21/h3-12,18H,1-2H3,(H,26,27)(H,22,23,24,25)