1-(1-adamantyl)-2-(7H-purin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(7H-purin-6-ylsulfanyl)ethanone Openeye Name: 1-(1-adamantyl)-2-(7H-purin-6-ylsulfanyl)ethanone CAS Name: 1-(1-adamantyl)-2-(7H-purin-6-ylthio)ethanone IUPAC Name: 1-(1-adamantyl)-2-(7H-purin-6-ylsulfanyl)ethanone Traditional Name: 1-(1-adamantyl)-2-(7H-purin-6-ylthio)ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C17H20N4OS/c22-13(7-23-16-14-15(19-8-18-14)20-9-21-16)17-4-10-1-11(5-17)3-12(2-10)6-17/h8-12H,1-7H2,(H,18,19,20,21)