2-(7H-purin-6-ylsulfanyl)-N-(2,4,4-trimethylpentan-2-yl)ethanamide

Systemtic Name: 2-(7H-purin-6-ylsulfanyl)-N-(2,4,4-trimethylpentan-2-yl)ethanamide Openeye Name: 2-(7H-purin-6-ylsulfanyl)-N-(1,1,3,3-tetramethylbutyl)acetamide CAS Name: 2-(7H-purin-6-ylthio)-N-(2,4,4-trimethylpentan-2-yl)acetamide IUPAC Name: 2-(7H-purin-6-ylsulfanyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide Traditional Name: 2-(7H-purin-6-ylthio)-N-(1,1,3,3-tetramethylbutyl)acetamide Formula: C15H23N5OS MolecularWeight: 321.44102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)CSC1=NC=NC2=C1NC=N2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)CSC1=NC=NC2=C1NC=N2

InChI

InChI=1S/C15H23N5OS/c1-14(2,3)7-15(4,5)20-10(21)6-22-13-11-12(17-8-16-11)18-9-19-13/h8-9H,6-7H2,1-5H3,(H,20,21)(H,16,17,18,19)