2-[6-azanyl-2-(2-hydroxyethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-(2-hydroxyethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(2-hydroxyethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(2-hydroxyethylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(2-hydroxyethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(2-hydroxyethylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C12H17N5O5S MolecularWeight: 343.35888

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)SCCO

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)SCCO

InChI

InChI=1S/C12H17N5O5S/c13-9-6-10(16-12(15-9)23-2-1-18)17(4-14-6)11-8(21)7(20)5(3-19)22-11/h4-5,7-8,11,18-21H,1-3H2,(H2,13,15,16)