(6S)-6-(6-chloranylpurin-9-yl)-6-ethylsulfanyl-hexane-1,2,3,4,5-pentol

Systemtic Name: (6S)-6-(6-chloranylpurin-9-yl)-6-ethylsulfanyl-hexane-1,2,3,4,5-pentol Openeye Name: (6S)-6-(6-chloropurin-9-yl)-6-ethylsulfanyl-hexane-1,2,3,4,5-pentol CAS Name: (6S)-6-(6-chloro-9-purinyl)-6-(ethylthio)hexane-1,2,3,4,5-pentol IUPAC Name: (6S)-6-(6-chloropurin-9-yl)-6-ethylsulfanylhexane-1,2,3,4,5-pentol Traditional Name: (6S)-6-(6-chloropurin-9-yl)-6-(ethylthio)hexane-1,2,3,4,5-pentol Formula: C13H19ClN4O5S MolecularWeight: 378.83176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCS[C@@H](C(C(C(C(CO)O)O)O)O)N1C=NC2=C1N=CN=C2Cl

InChI

InChI=1S/C13H19ClN4O5S/c1-2-24-13(10(23)9(22)8(21)6(20)3-19)18-5-17-7-11(14)15-4-16-12(7)18/h4-6,8-10,13,19-23H,2-3H2,1H3/t6?,8?,9?,10?,13-/m0/s1