(2R,3S,5R)-5-(6-azanyl-2-ethylsulfanyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

Systemtic Name: (2R,3S,5R)-5-(6-azanyl-2-ethylsulfanyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Openeye Name: (2R,3S,5R)-5-(6-amino-2-ethylsulfanyl-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol CAS Name: (2R,3S,5R)-5-[6-amino-2-(ethylthio)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol IUPAC Name: (2R,3S,5R)-5-(6-amino-2-ethylsulfanylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol Traditional Name: (2R,3S,5R)-5-[6-amino-2-(ethylthio)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol Formula: C12H17N5O3S MolecularWeight: 311.36008

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C(=N1)N)N=CN2C3CC(C(O3)CO)O

Isomeric SMILES

CCSC1=NC2=C(C(=N1)N)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O

InChI

InChI=1S/C12H17N5O3S/c1-2-21-12-15-10(13)9-11(16-12)17(5-14-9)8-3-6(19)7(4-18)20-8/h5-8,18-19H,2-4H2,1H3,(H2,13,15,16)/t6-,7+,8+/m0/s1