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

Systemtic Name: (2R,3S,5R)-5-(2-azanyl-6-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol hydrate Openeye Name: (2R,3S,5R)-5-(2-amino-6-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol hydrate CAS Name: (2R,3S,5R)-5-[2-amino-6-(methylthio)-9-purinyl]-2-(hydroxymethyl)-3-oxolanol hydrate IUPAC Name: (2R,3S,5R)-5-(2-amino-6-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol hydrate Traditional Name: (2R,3S,5R)-5-[2-amino-6-(methylthio)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol hydrate Formula: C11H17N5O4S MolecularWeight: 315.34878

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)N.O

Isomeric SMILES

CSC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O)N.O

InChI

InChI=1S/C11H15N5O3S.H2O/c1-20-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)19-7;/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15);1H2/t5-,6+,7+;/m0./s1