4-(7H-purin-6-ylsulfanylmethyl)-N-(2,4,6-trimethylphenyl)benzamide

Systemtic Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-(2,4,6-trimethylphenyl)benzamide Openeye Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-(2,4,6-trimethylphenyl)benzamide CAS Name: 4-[(7H-purin-6-ylthio)methyl]-N-(2,4,6-trimethylphenyl)benzamide IUPAC Name: 4-(7H-purin-6-ylsulfanylmethyl)-N-(2,4,6-trimethylphenyl)benzamide Traditional Name: N-mesityl-4-[(7H-purin-6-ylthio)methyl]benzamide Formula: C22H21N5OS MolecularWeight: 403.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4)C

InChI

InChI=1S/C22H21N5OS/c1-13-8-14(2)18(15(3)9-13)27-21(28)17-6-4-16(5-7-17)10-29-22-19-20(24-11-23-19)25-12-26-22/h4-9,11-12H,10H2,1-3H3,(H,27,28)(H,23,24,25,26)