2-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]sulfanylethanenitrile

Systemtic Name: 2-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]sulfanylethanenitrile Openeye Name: 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]sulfanylacetonitrile CAS Name: 2-[[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]thio]acetonitrile IUPAC Name: 2-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanylacetonitrile Traditional Name: 2-[[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-6-yl]thio]acetonitrile Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)SCC#N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

C1=NC2=C(C(=N1)SCC#N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C12H13N5O4S/c13-1-2-22-11-7-10(14-4-15-11)17(5-16-7)12-9(20)8(19)6(3-18)21-12/h4-6,8-9,12,18-20H,2-3H2