4-(6-chloranyl-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol

Systemtic Name: 4-(6-chloranyl-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol Openeye Name: 4-(6-chloro-2-methylsulfanyl-purin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol CAS Name: 4-[6-chloro-2-(methylthio)-9-purinyl]-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol IUPAC Name: 4-(6-chloro-2-methylsulfanylpurin-9-yl)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-ol Traditional Name: 4-[6-chloro-2-(methylthio)purin-9-yl]-2-methylol-3,4-dihydro-2H-pyran-3-ol Formula: C12H13ClN4O3S MolecularWeight: 328.77462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=N1)Cl)N=CN2C3C=COC(C3O)CO

Isomeric SMILES

CSC1=NC2=C(C(=N1)Cl)N=CN2C3C=COC(C3O)CO

InChI

InChI=1S/C12H13ClN4O3S/c1-21-12-15-10(13)8-11(16-12)17(5-14-8)6-2-3-20-7(4-18)9(6)19/h2-3,5-7,9,18-19H,4H2,1H3