N-(2-adamantyl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2-adamantyl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-adamantyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2-adamantyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2-adamantyl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2-adamantyl)-2-(7H-purin-6-ylthio)acetamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C17H21N5OS/c23-13(6-24-17-15-16(19-7-18-15)20-8-21-17)22-14-11-2-9-1-10(4-11)5-12(14)3-9/h7-12,14H,1-6H2,(H,22,23)(H,18,19,20,21)