2-azanyl-8-(2-hydroxyethylsulfanyl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-(2-hydroxyethylsulfanyl)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(2-hydroxyethylsulfanyl)-3H-purin-6-one CAS Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(2-hydroxyethylthio)-3H-purin-6-one IUPAC Name: 2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(2-hydroxyethylsulfanyl)-3H-purin-6-one Traditional Name: 2-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-8-(2-hydroxyethylthio)-3H-purin-6-one Formula: C12H17N5O6S MolecularWeight: 359.35828

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Descriptors Computed from Structure

Canonical SMILES:

C(CSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N)O

Isomeric SMILES

C(CSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=O)N)O

InChI

InChI=1S/C12H17N5O6S/c13-11-15-8-5(9(22)16-11)14-12(24-2-1-18)17(8)10-7(21)6(20)4(3-19)23-10/h4,6-7,10,18-21H,1-3H2,(H3,13,15,16,22)