(2S,3S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(methylsulfanylmethyl)oxolan-3-ol

Systemtic Name: (2S,3S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(methylsulfanylmethyl)oxolan-3-ol Openeye Name: (2S,3S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(methylsulfanylmethyl)tetrahydrofuran-3-ol CAS Name: (2S,3S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-[(methylthio)methyl]-3-oxolanol IUPAC Name: (2S,3S,5R)-5-(6-aminopurin-9-yl)-4-azido-2-(methylsulfanylmethyl)oxolan-3-ol Traditional Name: (2S,3S,5R)-5-adenin-9-yl-4-azido-2-[(methylthio)methyl]tetrahydrofuran-3-ol Formula: C11H14N8O2S MolecularWeight: 322.34626

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)N=[N+]=[N-])O

Isomeric SMILES

CSC[C@@H]1[C@H](C([C@@H](O1)N2C=NC3=C2N=CN=C3N)N=[N+]=[N-])O

InChI

InChI=1S/C11H14N8O2S/c1-22-2-5-8(20)6(17-18-13)11(21-5)19-4-16-7-9(12)14-3-15-10(7)19/h3-6,8,11,20H,2H2,1H3,(H2,12,14,15)/t5-,6?,8-,11-/m1/s1