6-(6-chloranylpurin-9-yl)-6-ethylsulfanyl-hexane-1,2,3,4-tetrol

Systemtic Name: 6-(6-chloranylpurin-9-yl)-6-ethylsulfanyl-hexane-1,2,3,4-tetrol Openeye Name: 6-(6-chloropurin-9-yl)-6-ethylsulfanyl-hexane-1,2,3,4-tetrol CAS Name: 6-(6-chloro-9-purinyl)-6-(ethylthio)hexane-1,2,3,4-tetrol IUPAC Name: 6-(6-chloropurin-9-yl)-6-ethylsulfanylhexane-1,2,3,4-tetrol Traditional Name: 6-(6-chloropurin-9-yl)-6-(ethylthio)hexane-1,2,3,4-tetrol Formula: C26H38Cl2N8O8S2 MolecularWeight: 725.66472

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC(C(C(CO)O)O)O)N1C=NC2=C1N=CN=C2Cl.CCSC(CC(C(C(CO)O)O)O)N1C=NC2=C1N=CN=C2Cl

Isomeric SMILES

CCSC(CC(C(C(CO)O)O)O)N1C=NC2=C1N=CN=C2Cl.CCSC(CC(C(C(CO)O)O)O)N1C=NC2=C1N=CN=C2Cl

InChI

InChI=1S/2C13H19ClN4O4S/c2*1-2-23-9(3-7(20)11(22)8(21)4-19)18-6-17-10-12(14)15-5-16-13(10)18/h2*5-9,11,19-22H,2-4H2,1H3