N-(2-ethyl-6-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-(7H-purin-6-ylthio)acetamide Formula: C16H17N5OS MolecularWeight: 327.40408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2NC=N3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC=NC3=C2NC=N3)C

InChI

InChI=1S/C16H17N5OS/c1-3-11-6-4-5-10(2)13(11)21-12(22)7-23-16-14-15(18-8-17-14)19-9-20-16/h4-6,8-9H,3,7H2,1-2H3,(H,21,22)(H,17,18,19,20)