6-methylsulfanyl-8-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)-3-propyl-7H-purin-2-one

Systemtic Name: 6-methylsulfanyl-8-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)-3-propyl-7H-purin-2-one Openeye Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one CAS Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-(methylthio)-3-propyl-7H-purin-2-one IUPAC Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-methylsulfanyl-3-propyl-7H-purin-2-one Traditional Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-6-(methylthio)-3-propyl-7H-purin-2-one Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C34CCC(CC3)(CC4)O

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C34CCC(CC3)(CC4)O

InChI

InChI=1S/C17H24N4O2S/c1-3-10-21-12-11(13(24-2)20-15(21)22)18-14(19-12)16-4-7-17(23,8-5-16)9-6-16/h23H,3-10H2,1-2H3,(H,18,19)