9-[1-methylsulfanyl-2,3,4,5,6-pentakis(oxidanyl)hexyl]-3H-purine-6-thione

Systemtic Name: 9-[1-methylsulfanyl-2,3,4,5,6-pentakis(oxidanyl)hexyl]-3H-purine-6-thione Openeye Name: 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanyl-hexyl)-3H-purine-6-thione CAS Name: 9-[2,3,4,5,6-pentahydroxy-1-(methylthio)hexyl]-3H-purine-6-thione IUPAC Name: 9-(2,3,4,5,6-pentahydroxy-1-methylsulfanylhexyl)-3H-purine-6-thione Traditional Name: 9-[2,3,4,5,6-pentahydroxy-1-(methylthio)hexyl]-3H-purine-6-thione Formula: C12H18N4O5S2 MolecularWeight: 362.42512

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Descriptors Computed from Structure

Canonical SMILES:

CSC(C(C(C(C(CO)O)O)O)O)N1C=NC2=C1NC=NC2=S

Isomeric SMILES

CSC(C(C(C(C(CO)O)O)O)O)N1C=NC2=C1NC=NC2=S

InChI

InChI=1S/C12H18N4O5S2/c1-23-12(9(21)8(20)7(19)5(18)2-17)16-4-15-6-10(16)13-3-14-11(6)22/h3-5,7-9,12,17-21H,2H2,1H3,(H,13,14,22)