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

Systemtic Name: 8-(4-oxidanyl-1-bicyclo[2.2.2]octanyl)-3-propyl-6-sulfanylidene-7H-purin-2-one Openeye Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-3-propyl-6-thioxo-7H-purin-2-one CAS Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-3-propyl-6-sulfanylidene-7H-purin-2-one IUPAC Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-3-propyl-6-sulfanylidene-7H-purin-2-one Traditional Name: 8-(4-hydroxy-1-bicyclo[2.2.2]octanyl)-3-propyl-6-thioxo-7H-purin-2-one Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O2S/c1-2-9-20-11-10(12(23)19-14(20)21)17-13(18-11)15-3-6-16(22,7-4-15)8-5-15/h22H,2-9H2,1H3,(H,17,18)(H,19,21,23)