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

Systemtic Name: 9-[1-ethylsulfanyl-2,3,4,5,6-pentakis(oxidanyl)hexyl]-3H-purine-6-thione Openeye Name: 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxy-hexyl)-3H-purine-6-thione CAS Name: 9-[1-(ethylthio)-2,3,4,5,6-pentahydroxyhexyl]-3H-purine-6-thione IUPAC Name: 9-(1-ethylsulfanyl-2,3,4,5,6-pentahydroxyhexyl)-3H-purine-6-thione Traditional Name: 9-[1-(ethylthio)-2,3,4,5,6-pentahydroxy-hexyl]-3H-purine-6-thione Formula: C13H20N4O5S2 MolecularWeight: 376.4517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O5S2/c1-2-24-13(10(22)9(21)8(20)6(19)3-18)17-5-16-7-11(17)14-4-15-12(7)23/h4-6,8-10,13,18-22H,2-3H2,1H3,(H,14,15,23)